data_2dlv_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 2dlv _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 ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.69 -38.27 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -74.93 -42.1 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 39.4 m0 -45.21 -39.77 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -55.26 -33.68 58.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.1 mm-40 -35.74 -48.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -162.93 157.13 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 24.0 t80 -57.29 -47.65 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -53.08 -51.24 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -43.87 -48.41 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD12 ' CA ' ' A' ' 28' ' ' GLY . 10.2 tp -57.52 -51.91 67.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.545 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 30.6 mt -57.93 -50.2 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -37.24 -43.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -92.16 140.11 29.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -63.83 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -43.92 -57.46 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.94 -55.53 17.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.411 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.12 -58.84 5.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.13 60.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -55.21 -47.47 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -59.38 -47.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.204 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -45.16 -50.3 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.87 -44.63 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.7 mt -69.27 -43.29 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 54.2 mttt -48.6 -46.1 38.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -61.96 -34.98 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -93.76 13.69 21.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 52.16 34.73 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 -13.99 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 43' ' ' GLU . 3.1 pm0 -40.65 -34.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 16.0 pt-20 -39.98 -38.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -59.94 -57.15 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 46' ' ' GLU . 7.0 tp -61.88 -31.93 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.496 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.8 mm-40 -55.41 -42.11 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 40.7 t80 -69.98 -45.68 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.545 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 29.3 t90 -52.39 -39.69 61.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' CYS . 15.4 mt -66.86 -66.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.0 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ILE . 94.5 m -68.3 -67.12 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 1.1 pp20? -42.77 -32.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -83.98 -36.22 23.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 18.4 t80 -53.22 -41.82 65.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 52' ' ' GLU . 7.6 mtmp? -61.25 -30.79 70.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -79.7 14.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -71.3 157.03 38.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -121.31 123.71 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.66 171.5 30.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -36.06 11.51 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 6.6 tp60 -52.08 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -47.5 -46.88 27.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 31.3 mt -58.73 -44.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.47 -52.3 53.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 61' ' ' GLN . 9.8 mp -54.92 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -52.85 -43.0 65.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.74 -57.14 13.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -53.28 -49.91 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.76 -66.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 57.5 mt -50.35 -38.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.507 ' CB ' HD12 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -59.63 -64.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 36.8 mt-10 -68.14 0.67 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.514 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 21.0 tttp -97.06 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 7.6 m-85 -98.03 -62.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 40.4 mm -31.93 -68.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.524 HE21 ' N ' ' A' ' 79' ' ' ALA . 5.5 pt20 -56.81 152.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 79' ' ' ALA . 6.8 m -91.03 -31.98 16.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 15.9 t0 -73.17 17.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.524 ' N ' HE21 ' A' ' 76' ' ' GLN . . . -104.79 161.48 22.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.74 -46.06 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -90.2 17.99 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 118.21 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.2 m -101.04 171.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -77.1 104.45 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 mt -126.59 160.92 29.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.22 143.62 47.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.91 -57.2 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -52.15 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.1 m -42.54 -40.54 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.37 -44.73 62.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.76 -62.11 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.8 -47.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.563 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 95.1 mt -65.02 -43.73 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.8 m -54.03 -41.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -85.52 -33.83 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.8 t -91.89 17.3 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.507 HD12 ' CB ' ' A' ' 71' ' ' TYR . 11.3 tp -66.86 -12.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.611 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.7 t -104.49 -15.99 15.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.797 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 80.0 mt-30 -117.99 30.41 0.15 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.87 148.83 65.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.6 p -134.2 177.75 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.18 -29.6 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -98.42 17.45 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -93.59 -63.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 8.1 m-85 -52.3 -38.08 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 17.9 t70 -32.79 -42.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.91 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.86 -48.23 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 56.6 tt0 -49.56 -41.17 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -54.91 -56.29 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.82 -53.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -39.18 -40.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -75.91 -53.44 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.2 mt -37.82 -49.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.473 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 35.6 mtm -69.42 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.2 tm-20 -43.37 -26.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -74.13 -67.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 120' ' ' SER . 72.8 m-20 -98.02 -66.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ASP . 55.9 m -31.95 -60.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -51.61 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.9 p -46.22 -58.11 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -53.98 -40.67 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 25.5 t80 -61.36 -40.22 93.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.13 -36.19 63.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -95.5 17.91 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.4 p -91.33 144.12 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.61 -52.83 35.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -43.8 -48.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 65.1 t80 -66.2 -66.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' TYR . 28.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.568 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.6 -40.09 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -72.58 -43.06 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.2 m0 -44.35 -49.4 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.91 -38.65 65.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLY . 16.0 mm-40 -37.8 -46.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 t -160.83 162.36 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 29.7 t80 -62.37 -40.51 96.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.45 -42.98 99.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -52.67 -45.85 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 7.3 tp -60.96 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 19' ' ' PHE . 38.0 mt -57.81 -49.34 76.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -37.88 -48.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -87.13 136.62 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -64.21 -59.29 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.92 -54.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.98 -42.71 99.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.56 -48.85 80.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -49.98 -56.67 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.18 -42.18 50.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 36' ' ' LEU . 41.6 t80 -58.15 -62.14 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 m -43.13 -45.07 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -50.43 -60.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.24 -45.46 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 32' ' ' PHE . 36.2 mt -67.8 -46.69 71.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -44.36 -49.19 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -55.89 -39.6 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.64 13.26 22.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 52.44 37.01 21.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -116.53 13.2 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 1.2 pm0 -61.12 -40.56 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 17.0 pt-20 -39.51 -41.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -52.33 -53.24 46.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 46' ' ' GLU . 6.9 tp -71.63 -35.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' HG23 ' A' ' 45' ' ' ILE . 3.6 mm-40 -49.32 -42.98 43.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 112' ' ' VAL . 18.3 t80 -66.24 -41.59 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -57.52 -42.2 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.06 -53.1 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.53 -43.79 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 93.4 m -51.67 -53.46 38.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -52.01 -48.16 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.8 -39.5 94.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -59.18 -42.45 90.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.46 -44.73 90.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -38.87 -37.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t -52.43 148.92 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -113.89 -38.05 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.63 166.0 30.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.96 -35.45 12.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.28 -67.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -48.44 -49.33 35.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.4 mt -48.71 -41.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -70.51 -58.42 3.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mp -54.45 -60.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -52.13 -44.81 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.02 -56.5 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.23 -61.74 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.18 -58.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.1 mt -63.29 -40.97 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -57.16 -60.62 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 62.5 mt-10 -66.19 -1.52 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttm -96.41 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.4 m-85 -98.08 -62.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 49.9 mm -32.03 -72.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.547 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.47 158.95 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.53 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.5 m -94.52 -31.95 13.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 14.6 t0 -72.15 18.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.88 156.59 35.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 79' ' ' ALA . 53.4 Cg_endo -69.76 -32.21 19.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.56 18.03 22.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.03 119.71 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -104.44 175.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.72 107.0 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.8 mt -129.3 154.13 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.31 147.58 53.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -55.89 -53.44 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -56.17 -43.42 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.084 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -69.89 -43.56 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.49 -58.9 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -42.85 -47.34 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.222 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.569 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -64.35 -42.32 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.5 m -52.51 -41.81 63.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.38 -35.18 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -91.13 18.04 7.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.494 HD11 ' CB ' ' A' ' 71' ' ' TYR . 10.8 tp -69.29 -9.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.663 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.1 t -106.64 -15.5 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.835 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 mm100 -118.03 27.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.835 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.7 Cg_endo -69.74 149.41 67.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -133.86 177.86 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.82 -27.08 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -100.75 17.96 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.1 m -89.77 -66.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 106' ' ' ASP . 9.2 m-85 -47.82 -37.09 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.8 t70 -32.37 -45.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.85 -56.37 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.77 93.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -54.0 -43.23 69.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -60.15 -38.51 83.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -57.7 -60.57 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 47' ' ' PHE . 83.9 t -62.31 -51.85 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -40.9 -51.04 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 115' ' ' LEU . 26.4 mm100 -66.16 -56.79 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 114' ' ' GLN . 5.7 mt -35.21 -50.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.493 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 57.9 mtm -66.57 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.489 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 32.8 tt0 -39.95 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' MET . 53.5 mm-40 -69.88 -66.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' SER . 2.1 m-20 -98.0 -63.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.493 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 3.0 m -32.04 -56.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.422 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 33.9 t80 -57.11 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.7 p -42.12 -45.34 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.11 -34.13 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.06 -43.55 82.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.62 -36.48 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.71 15.85 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.4 p -90.31 129.83 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.39 -40.59 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.6 -51.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.19 -62.07 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG22 ' HD3' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -51.98 -38.4 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 4.4 mmtp -77.04 -45.48 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CD2' HD12 ' A' ' 22' ' ' LEU . 52.3 m0 -42.84 -41.6 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -57.19 -35.58 71.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLY . 6.2 mm-40 -34.12 -59.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -157.65 148.0 20.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 33.4 t80 -42.41 -49.47 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -56.1 -43.15 77.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -42.05 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 15' ' ' TRP . 8.3 tp -62.81 -59.17 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 19.7 mt -48.09 -50.31 28.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.1 t -37.32 -42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 19.7 t-80 -84.12 139.52 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -70.53 -53.7 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 m-20 -51.78 -49.95 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.503 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -63.51 -45.39 94.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.489 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.9 -45.41 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.15 -47.02 79.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.51 92.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 36' ' ' LEU . 85.6 t80 -53.51 -60.04 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.4 m -41.03 -53.86 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' PHE . 95.6 mtt180 -39.82 -64.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 17.2 t80 -37.5 -43.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mt -74.27 -46.85 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -47.06 -45.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -59.33 -37.77 78.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -95.13 14.24 22.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 52.44 34.28 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -109.17 -9.72 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -41.46 -43.18 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 6.3 pt-20 -33.92 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLU . 10.6 m-20 -63.02 -58.64 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 46' ' ' GLU . 8.6 tp -65.48 -37.93 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 45' ' ' ILE . 15.8 mt-10 -47.69 -43.46 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 82.1 t80 -68.93 -44.8 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 43.6 t90 -51.2 -47.35 62.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.62 -53.71 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.82 -41.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.56 -56.17 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.83 -45.48 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.03 -26.31 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -63.22 -48.07 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' LYS . 1.4 ptpm? -64.26 -38.69 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 54.4 mttp -38.15 -34.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.22 154.34 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -117.36 -37.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.59 163.84 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -51.24 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -39.01 -65.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -45.97 -44.33 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.34 -51.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -58.12 -40.27 80.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 65' ' ' LEU . 9.7 mp -69.27 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.7 mtmp? -53.36 -41.6 65.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.41 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.77 -51.4 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.5 mt -52.19 -41.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 3.9 t80 -50.27 -68.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 37.5 mt-10 -63.74 -4.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 39.9 tttt -82.5 -67.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -110.52 -49.04 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 46.9 mm -43.08 -66.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.472 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 4.4 pt20 -58.94 144.63 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.404 ' CG2' ' H ' ' A' ' 78' ' ' ASP . 1.3 m -78.3 177.97 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' H ' ' CG2' ' A' ' 77' ' ' THR . 5.6 m-20 47.39 32.09 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 80' ' ' PRO . . . -104.57 169.55 7.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.75 -31.54 20.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.4 mmtp -117.99 17.4 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -51.98 134.18 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -124.19 165.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -70.76 103.33 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.81 149.0 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.8 151.53 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -56.62 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.39 -41.3 13.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -63.04 -38.83 92.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.03 -39.71 60.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.79 -58.95 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.2 p -43.66 -46.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.556 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 93.1 mt -67.4 -42.41 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.6 m -55.98 -38.27 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -87.92 -33.01 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -91.06 17.96 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -71.81 -7.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.641 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.2 t -106.26 -20.79 13.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.822 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 25.4 pt20 -117.98 28.85 0.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.86 140.31 41.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.1 p -113.56 178.34 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.25 -18.47 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.22 18.04 20.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 t -61.45 -51.34 69.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -81.37 15.37 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.46 -51.87 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.81 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -47.0 -42.66 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -59.27 -39.82 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -61.33 -55.53 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' TYR . 87.6 t -60.01 -55.84 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t80 -36.32 -45.73 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' LEU . 17.3 mm-40 -70.51 -52.44 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLN . 4.1 mt -36.37 -43.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.422 ' CA ' ' HB3' ' A' ' 120' ' ' SER . 75.5 mtm -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 24.2 tt0 -46.79 -22.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -62.41 -69.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.86 -37.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.422 ' HB3' ' CA ' ' A' ' 116' ' ' MET . 32.8 t -49.86 -61.15 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -49.33 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -49.55 -35.61 20.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -70.66 -46.69 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.15 -37.89 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.36 -43.0 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -97.79 16.52 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.4 p -87.78 152.52 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.72 -50.23 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 90.9 mt -46.76 -47.19 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -67.56 -61.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.847 0.356 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.0 p -45.09 -39.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -72.74 -45.65 57.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.534 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.4 m0 -41.11 -42.38 1.99 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -56.74 -37.57 77.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLY . 33.5 mm-40 -37.81 -57.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.419 ' HG ' ' N ' ' A' ' 19' ' ' PHE . 32.3 t -149.42 150.04 31.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' N ' ' HG ' ' A' ' 18' ' ' SER . 29.8 t80 -55.68 -26.86 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.35 -54.69 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -46.63 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.58 -47.63 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.0 mt -65.06 -53.2 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LEU . 8.1 t -34.4 -44.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -83.13 150.97 25.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -77.92 -57.48 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.71 -52.27 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.14 96.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 tp -64.47 -54.28 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.706 0.288 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.71 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.12 -54.71 22.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.541 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 63.7 t80 -41.23 -50.98 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 37' ' ' LYS . 96.2 m -51.75 -60.92 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' THR . 47.4 mtm-85 -37.79 -54.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 4.9 t80 -47.86 -43.98 28.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.5 mt -72.83 -45.15 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.3 mtpt -44.04 -49.76 8.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -58.44 -38.98 78.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -92.09 13.91 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 52.12 33.62 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -106.54 -11.0 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 pp20? -44.04 -43.6 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.1 pt-20 -37.12 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.0 m-20 -72.66 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.428 HG21 ' O ' ' A' ' 42' ' ' GLU . 9.1 tp -66.42 -33.0 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' ' OE1' ' A' ' 42' ' ' GLU . 7.9 mt-10 -47.02 -43.96 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -70.22 -45.56 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.423 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.9 t90 -46.34 -46.77 18.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.06 -47.85 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.43 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.55 -50.43 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 15.5 mm-40 -55.8 -54.64 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -60.86 -33.47 73.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 22.5 t80 -60.12 -34.05 72.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' LYS . 42.8 mtmt -68.89 -44.9 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 36.4 mttm -37.27 -39.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 m -52.31 144.28 13.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.31 -33.75 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 58' ' ' LYS . . . -86.03 164.87 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -51.77 0.37 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -40.87 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.43 -53.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 70.3 mt -48.23 -54.09 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -59.74 -53.67 55.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -49.52 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -58.03 -55.06 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.3 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -63.86 -50.59 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -59.05 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.86 -36.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CE2' HG23 ' A' ' 75' ' ' ILE . 8.0 t80 -56.92 -68.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 48.3 mt-10 -63.89 -0.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 36.2 tttt -92.64 -53.2 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 9.2 m-85 -118.07 -45.28 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 71' ' ' TYR . 44.5 mm -50.93 -69.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.488 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 6.0 pt20 -52.0 147.5 7.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.4 m -75.1 -37.23 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -72.78 17.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 77' ' ' THR . . . -90.55 145.77 33.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.564 0.697 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.55 30.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.591 2.194 . . . . 0.0 112.305 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -115.46 18.03 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -50.44 115.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.32 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 104.65 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.4 mt -126.54 139.92 52.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.18 144.29 57.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -45.13 -53.98 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -53.78 -55.69 24.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.1 m -49.09 -43.12 40.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -69.45 -44.66 70.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 40.2 tt0 -64.01 -64.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -38.71 -47.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 91.9 mt -66.07 -36.96 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 88.2 m -55.0 -43.41 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.42 -33.5 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 t -90.02 18.03 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.439 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -74.24 -13.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.663 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -106.67 -16.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 30.3 mm-40 -118.01 27.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.8 157.22 61.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.739 2.293 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 p -133.33 176.98 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.9 -23.41 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -104.92 17.08 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.2 t -86.62 -70.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASP . 18.2 m-85 -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' PHE . 8.7 t70 -37.28 -41.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.06 14.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.14 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -50.99 -48.06 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 t -55.89 -40.14 72.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -53.8 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.28 -50.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -43.28 -47.11 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.15 -50.11 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.3 -49.66 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.466 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 53.9 mtm -64.41 -61.48 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -38.98 -29.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.6 mt-30 -53.22 -70.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.99 -37.72 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.466 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 67.4 m -47.63 -50.68 23.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.75 -59.62 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -49.77 -34.77 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 10.3 ttm180 -72.66 -49.66 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 58.7 t80 -51.78 -27.68 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.17 -30.27 63.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -103.12 16.96 25.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' ASP . 68.2 p -95.5 120.36 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' SER . 0.5 OUTLIER -34.65 -41.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.22 -56.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -68.89 -43.41 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.821 0.344 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.91 -35.72 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 52.4 mttt -73.84 -47.89 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -38.59 -53.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -44.18 -36.92 4.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' GLY . 35.3 mt-10 -33.58 -54.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -164.27 159.44 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 3.9 t80 -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.87 -45.6 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -54.09 -41.42 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.6 -61.17 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.17 -45.9 61.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -48.14 -42.01 28.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -80.89 146.62 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -55.42 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -53.15 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.63 -47.19 58.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.3 -54.44 37.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.325 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -48.92 -59.94 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.15 79.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 23.3 t80 -54.04 -49.63 68.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.4 m -50.81 -51.14 53.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -42.58 -61.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.0 t80 -39.83 -43.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 47.1 mt -72.49 -49.44 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.3 -46.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -38.99 82.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -96.01 15.72 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.97 34.04 12.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -104.11 -11.61 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.3 pp20? -42.67 -46.5 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -34.47 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-20 -65.01 -58.95 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 46' ' ' GLU . 9.0 tp -64.22 -35.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' N ' HG21 ' A' ' 45' ' ' ILE . 9.8 mt-10 -51.84 -46.1 64.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.504 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 89.6 t80 -65.36 -41.74 93.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -52.63 -46.57 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.35 -53.84 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.39 -25.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 54' ' ' PHE . 81.4 m -78.59 -69.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -44.89 -24.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.93 -29.26 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -62.58 -36.62 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LYS . 16.7 ptpt -75.37 -37.34 60.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.5 mtpp -37.98 -37.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.12 155.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 -37.17 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.6 165.04 23.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -42.88 2.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.92 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.412 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 2.9 tp60 -48.73 -45.17 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.556 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 95.0 mt -54.7 -43.34 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -63.44 -49.52 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.62 -61.1 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 69.2 mttt -54.79 -56.42 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.67 -55.2 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.39 -56.82 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.5 mt -49.11 -42.56 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' CB ' HD11 ' A' ' 97' ' ' ILE . 2.1 t80 -53.88 -66.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -64.01 -4.37 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.536 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 19.7 tttt -88.71 -69.48 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.02 -62.11 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' PHE . 43.5 mm -34.18 -67.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.423 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 4.6 pt20 -53.19 140.08 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -78.54 172.02 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.2 32.14 7.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -104.49 171.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 55.0 Cg_endo -69.71 -31.82 20.0 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.2 mmtp -117.99 16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 3.0 pp20? -52.04 114.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -100.7 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -72.08 104.49 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 72.0 mt -136.7 141.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.05 140.61 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -43.84 -46.42 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -50.36 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.2 m -43.36 -47.39 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -61.35 -48.98 78.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -54.39 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -49.71 -46.22 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.34 -43.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.5 m -53.33 -44.37 68.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -84.22 -33.12 24.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 t -92.41 18.04 9.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 71' ' ' TYR . 11.1 tp -69.43 -11.0 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.626 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -104.07 -19.9 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.812 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 31.5 mt-30 -118.06 29.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.1 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.274 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -97.82 177.83 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 63' ' ' ILE . 96.7 mt -69.86 -29.74 67.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -98.6 17.9 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -79.24 -70.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASP . 19.4 m-85 -44.87 -30.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -36.83 -41.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.11 77.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 52.8 tt0 -50.59 -39.65 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t -55.9 -55.26 34.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -43.36 -60.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.438 HG12 ' CE ' ' A' ' 116' ' ' MET . 76.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -41.7 -40.65 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -77.31 -51.74 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 7.1 mt -51.65 -34.32 37.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.438 ' CE ' HG12 ' A' ' 112' ' ' VAL . 62.3 mtm -80.18 -55.04 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 37.6 tt0 -51.53 -16.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 115' ' ' LEU . 4.5 pt20 -102.71 -38.12 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.07 -70.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 p -48.51 -45.09 36.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 125' ' ' LEU . 26.7 t80 -62.47 -67.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 p -39.65 -52.34 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 36.6 mtp180 -67.1 -48.84 66.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.72 -50.8 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 121' ' ' TYR . 87.5 mt -54.26 -35.32 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -103.5 17.5 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -91.47 136.91 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -45.28 -55.26 6.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.0 mt -41.63 -52.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.29 -58.83 5.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 14' ' ' LYS . 4.3 p -53.42 -31.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' HG13 ' A' ' 13' ' ' VAL . 39.9 mttm -78.8 -48.67 14.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 53.7 m0 -37.8 -43.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.56 -41.45 73.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LYS . 22.6 mt-10 -38.04 -64.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -141.29 153.17 45.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.4 t80 -60.41 -40.67 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -57.03 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -40.0 -47.75 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD11 ' CD2' ' A' ' 15' ' ' TRP . 6.1 tp -55.38 -58.95 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.27 -50.01 65.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -39.47 -47.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.91 148.47 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -77.35 -55.25 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.93 -52.31 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.51 -54.35 37.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 tp -46.57 -54.68 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -49.74 -55.0 15.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.11 78.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.585 ' CE2' HD12 ' A' ' 36' ' ' LEU . 25.2 t80 -52.88 -48.26 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.5 m -52.6 -53.08 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -38.75 -54.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -48.68 -43.15 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 32' ' ' PHE . 14.8 mt -72.59 -46.99 51.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -41.84 -41.62 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -65.2 -36.15 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt-10 -94.56 11.5 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 52.04 33.32 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -107.8 -17.7 14.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.5 pp20? -39.06 -42.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' GLU . 11.1 pt-20 -33.41 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' GLU . 75.9 m-20 -63.41 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 46' ' ' GLU . 9.4 tp -60.2 -29.84 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' N ' HG21 ' A' ' 45' ' ' ILE . 9.9 mm-40 -53.89 -45.26 71.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 44.0 t80 -68.5 -46.81 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 13.8 t90 -51.26 -37.51 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.2 mt -71.11 -55.05 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.35 -36.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 92.8 m -60.77 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -44.34 -37.69 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -82.49 -34.25 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.8 t80 -58.79 -46.21 88.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.37 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.64 -31.03 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 m -56.09 144.57 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 107.12 14.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.99 162.21 11.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -38.41 -70.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -43.37 -52.96 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.556 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 66.8 mt -48.77 -54.23 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -51.05 -51.45 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.1 mt -52.4 -67.03 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -53.53 -58.08 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -38.86 -45.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -62.82 -53.07 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.56 -62.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.7 mt -49.78 -39.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -59.46 -66.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 21.6 mt-10 -66.96 -1.16 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 73.0 tttt -92.64 -62.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 5.5 m-85 -104.04 -63.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 74' ' ' PHE . 48.3 mm -32.05 -71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.577 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 6.2 pt20 -55.88 156.13 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.0 m -91.0 -30.36 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 16.9 t70 -72.81 18.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.577 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -104.8 156.86 35.35 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 79' ' ' ALA . 52.7 Cg_endo -69.81 -40.38 5.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -95.67 17.89 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -52.0 121.9 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.0 176.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.423 ' CG ' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -82.09 104.38 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 mt -126.51 146.91 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.21 142.68 46.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 4.3 t80 -50.26 -54.55 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -53.37 -61.86 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -42.89 -42.13 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.54 -51.9 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -56.6 -50.25 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -51.58 -43.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.38 -43.05 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -54.27 -42.08 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -87.51 -32.91 19.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -91.16 18.12 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.477 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -73.29 -9.79 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.655 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -105.07 -19.73 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 46.9 mt-30 -118.0 27.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.83 135.36 30.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 19.7 p -107.35 175.41 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.86 -24.24 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.478 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 7.5 p80 -105.16 18.03 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -61.56 -60.74 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' ASP . 65.6 m-85 -68.2 -27.13 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.6 t0 -32.97 -44.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.94 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.62 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 48' ' ' TRP . 22.6 tt0 -51.31 -43.56 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.3 t -48.16 -46.76 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.5 t -51.05 -51.13 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -45.3 -45.53 12.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.423 HD21 ' CG ' ' A' ' 84' ' ' ASN . 3.6 mt -43.95 -37.98 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' GLN . 37.7 mtm -75.65 -69.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.54 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 12.4 tt0 -37.95 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 116' ' ' MET . 24.3 mm-40 -41.81 -70.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -117.97 -34.42 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -49.32 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.432 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 19.4 t80 -69.46 -66.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.0 p -44.25 -46.45 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -69.87 -50.09 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 64.4 t80 -42.43 -40.73 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.75 -36.66 72.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -101.16 16.69 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.2 p -89.91 141.75 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 128' ' ' ASP . 7.9 t0 -57.47 -46.22 83.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.5 -52.49 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.555 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.2 t80 -59.45 -49.35 78.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.32 -36.01 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' TRP . 35.3 mttt -73.34 -50.26 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 50.9 m0 -36.85 -59.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -37.98 -39.87 0.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.545 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 40.0 mt-10 -35.1 -67.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -137.82 150.48 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.0 t80 -62.73 -28.78 70.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -67.21 -48.92 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 48.6 mttt -49.6 -40.71 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.82 -55.99 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD21 ' CZ ' ' A' ' 19' ' ' PHE . 74.4 mt -49.81 -53.55 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -44.24 -42.91 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 28' ' ' GLY . 24.6 t60 -73.58 143.67 46.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -78.1 -67.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.7 -54.13 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' H ' ' CD2' ' A' ' 25' ' ' HIS . . . -59.94 -43.02 98.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.0 tp -57.43 -40.99 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.3 -61.71 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.52 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 28.1 t80 -55.13 -49.16 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.5 m -53.28 -51.67 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -44.83 -60.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -39.49 -41.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 26.7 mt -74.15 -45.35 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.03 -46.55 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -61.43 -37.08 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.55 12.98 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 52.07 34.38 13.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -108.98 -11.6 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -45.24 -38.38 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -39.58 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-20 -74.29 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 tp -65.56 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -50.4 -40.82 50.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t80 -72.62 -41.14 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -51.82 -43.7 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 59.6 mt -68.16 -53.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.04 -41.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' PHE . 75.2 m -59.47 -62.76 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.8 mm-40 -36.26 -51.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.39 -36.31 74.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 19.6 t80 -55.69 -33.71 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 6.1 mttm -72.6 -29.58 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -83.02 17.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -71.04 164.45 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -126.94 132.93 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.14 167.03 3.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.69 29.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -63.78 -59.43 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -46.13 -48.56 17.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.67 -47.5 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -58.85 -42.87 90.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 65' ' ' LEU . 10.0 mp -68.9 -60.09 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -52.91 -45.71 67.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.97 -56.61 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -65.05 -61.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.17 -46.34 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -77.37 -36.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.453 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -59.23 -60.54 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 52.1 mt-10 -65.04 -3.67 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 67.6 tttt -88.03 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.509 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 4.4 m-85 -110.8 -59.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 74' ' ' PHE . 40.5 mm -32.12 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.55 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 7.5 pt20 -52.17 170.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -102.02 -30.04 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -74.76 17.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.55 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . . . -101.42 155.53 36.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -39.79 6.19 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -96.44 18.01 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.6 pp20? -51.96 113.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -92.87 179.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -78.41 102.16 7.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 30.7 mt -126.98 141.15 51.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -62.5 141.17 58.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.95 -57.47 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -44.16 -62.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -45.63 -42.84 11.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -65.89 -44.86 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.53 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.44 -48.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.579 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.9 mt -66.4 -44.4 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.3 m -50.62 -40.36 52.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -87.99 -32.52 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -89.78 17.64 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 9.5 tp -78.79 -7.71 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.645 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 5.2 t -105.24 -24.75 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.838 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.1 pm0 -118.17 27.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.0 Cg_endo -69.74 146.16 59.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.1 p -117.33 179.04 4.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.03 -13.17 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -110.57 17.89 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.2 t -66.41 -53.87 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.409 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 61.0 m-85 -78.2 9.48 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -60.61 -44.87 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -54.65 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.57 -53.34 7.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -44.58 -45.26 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -57.06 -48.17 79.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -56.81 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.67 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -44.89 -42.38 7.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -74.91 -46.61 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -46.69 -41.77 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.418 ' C ' ' HB2' ' A' ' 120' ' ' SER . 72.4 mtm -75.64 -68.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 34.3 tt0 -36.87 -33.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 116' ' ' MET . 11.1 mm-40 -49.27 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.96 -37.25 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.418 ' HB2' ' C ' ' A' ' 116' ' ' MET . 67.6 m -48.15 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 21.9 t80 -58.2 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.1 p -40.75 -43.69 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 126' ' ' LYS . 22.0 mtt180 -68.81 -50.79 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 53.2 t80 -53.49 -28.97 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.34 -22.62 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -117.91 -8.03 10.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 128' ' ' ASP . 90.2 p -57.94 120.88 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 127' ' ' SER . 5.4 m-20 -32.72 -47.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.9 mt -47.55 -52.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 2.9 t80 -60.04 -50.32 74.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.961 0.41 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -43.16 -37.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' TRP . 63.6 mttt -74.16 -47.05 38.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.62 ' CH2' ' CA ' ' A' ' 28' ' ' GLY . 36.9 m0 -35.58 -51.06 0.63 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.02 -44.27 13.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 46.6 mt-10 -36.29 -64.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.3 m -139.07 155.53 47.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 20.3 t80 -61.84 -48.69 79.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -44.08 -43.39 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -53.06 -45.42 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -57.62 -60.85 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 48' ' ' TRP . 37.3 mt -54.23 -48.59 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -41.54 -44.89 3.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -83.29 158.77 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' CZ ' ' HG2' ' A' ' 30' ' ' GLU . 3.6 tpm_? -86.79 -58.06 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -48.05 -54.3 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.62 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -56.77 -48.82 74.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.562 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.2 tp -52.15 -52.82 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' HG2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 mm-40 -50.48 -60.66 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.52 -43.58 11.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -58.11 -49.35 77.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.9 m -50.27 -51.0 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -64.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.407 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 9.8 t80 -37.9 -43.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.4 mt -71.03 -47.13 60.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -43.79 -49.02 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -59.72 -37.08 77.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 25.1 mm-40 -91.15 14.08 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.16 31.94 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -116.56 16.58 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' GLU . 6.6 pt-20 -35.71 -29.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 47.2 m-20 -60.24 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.4 HG21 ' O ' ' A' ' 42' ' ' GLU . 10.3 tp -73.59 -36.27 46.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -43.22 -44.38 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.579 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 36.8 t80 -70.42 -48.1 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.511 ' CE2' HD12 ' A' ' 23' ' ' LEU . 52.3 t90 -43.97 -46.25 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.0 mt -64.47 -46.89 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.59 -43.56 36.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -50.3 -57.14 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.98 -61.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' CD ' ' A' ' 56' ' ' LYS . 26.0 t0 -53.02 -42.41 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -56.5 -45.55 80.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.55 -43.87 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 53' ' ' ASP . 20.4 mtpp -40.04 -36.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -52.44 149.26 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.99 -31.61 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . -97.15 166.29 23.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 -42.09 3.85 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -58.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -55.99 -61.7 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.6 mt -37.61 -54.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -54.68 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.22 -64.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -46.45 -46.96 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.54 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -58.12 -51.23 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.15 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.96 -39.15 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -58.22 -62.16 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 47.0 mt-10 -68.79 -0.69 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 8.3 tttp -95.04 -64.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 16.0 m-85 -102.62 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 34.7 mm -32.12 -73.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.571 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 6.1 pt20 -52.09 161.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 79' ' ' ALA . 5.7 m -95.11 -32.65 12.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 76' ' ' GLN . 6.8 p-10 -71.6 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.571 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -105.57 155.81 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.48 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -84.55 17.99 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -52.06 119.73 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -104.51 176.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -88.9 109.45 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.4 168.27 11.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.09 147.69 52.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 8.4 t80 -47.23 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.558 ' CD2' ' HB ' ' A' ' 92' ' ' VAL . 2.6 t-80 -60.26 -61.05 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -40.46 -38.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -69.07 -47.35 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 5.5 tp10 -70.65 -59.37 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -35.45 -47.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 97.7 mt -64.42 -43.61 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 59.9 m -55.49 -41.79 73.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.7 -25.73 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -100.43 17.89 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.438 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -72.96 -2.24 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.628 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.2 p -105.89 -24.26 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 57.2 mt-30 -118.03 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.3 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.9 p -106.05 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.58 -27.93 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.019 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.21 17.01 13.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 -63.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 106' ' ' ASP . 14.9 m-85 -55.38 -34.98 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.2 t70 -35.81 -47.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -55.45 33.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.32 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -53.08 -41.55 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -61.1 -55.96 26.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.17 -51.93 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.402 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 16.7 t80 -39.23 -46.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -70.73 -49.67 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.3 mt -41.15 -38.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 113' ' ' TYR . 40.8 mtm -76.54 -60.58 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 7.2 tm-20 -49.39 -17.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.49 -71.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -117.95 -37.86 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.4 m -48.89 -43.98 39.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -71.24 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.6 p -42.87 -44.44 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -69.15 -44.05 73.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 38.1 t80 -47.53 -37.03 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.59 -35.35 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -96.05 15.66 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.5 p -96.43 139.14 32.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -54.47 -43.29 71.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 57.9 mt -47.25 -57.55 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.8 t80 -53.34 -51.65 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.65 -41.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' GLU . 40.0 mttm -72.44 -43.81 63.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 40.9 m0 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -62.36 -41.61 99.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' LYS . 32.7 mt-10 -33.51 -53.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -150.58 156.35 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -59.75 -47.34 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -51.73 -44.82 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -48.17 -45.24 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.74 -60.79 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 mt -46.44 -52.75 12.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -39.16 -43.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.402 ' HD1' ' N ' ' A' ' 26' ' ' ARG . 3.5 t-80 -84.97 139.23 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' HD1' ' A' ' 25' ' ' HIS . 9.4 tpt180 -69.96 -59.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.17 -53.15 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.86 80.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 45' ' ' ILE . 50.9 tp -52.64 -47.13 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -49.06 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.3 -41.94 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 42.4 t80 -56.49 -46.18 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.6 m -53.59 -50.21 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.4 t80 -40.43 -39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 42.6 mt -73.74 -43.32 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -49.51 -41.79 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -63.46 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -94.06 13.26 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 52.33 36.97 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -114.13 -10.01 12.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 pp20? -43.19 -42.64 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pm0 -36.72 -26.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m-20 -68.13 -59.66 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 42' ' ' GLU . 10.3 tp -61.1 -32.75 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -53.76 -43.43 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CD2' HG21 ' A' ' 112' ' ' VAL . 37.6 t80 -73.66 -44.04 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -50.71 -48.78 58.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.77 -49.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.72 -42.57 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.98 -55.92 19.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -51.34 -46.86 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.96 -33.87 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 105' ' ' PHE . 43.2 t80 -59.53 -36.22 75.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.08 -41.81 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.9 t -52.63 149.77 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -117.53 -37.28 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.57 30.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.85 10.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 3.8 tp60 -42.1 -70.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 6.1 mm-40 -46.31 -62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLN . 66.2 mt -37.1 -39.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -72.08 -51.68 20.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.37 -63.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HE2' ' NE2' ' A' ' 62' ' ' GLN . 18.8 mttm -43.83 -54.08 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.29 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -56.89 -49.78 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -65.12 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.3 mt -53.3 -39.54 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -57.72 -65.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 70.0 mt-10 -67.51 -1.26 4.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 69.9 tttt -95.02 -63.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 5.7 m-85 -103.96 -62.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 33.1 mm -31.99 -70.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 6.2 pt20 -57.15 164.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.526 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -97.93 -32.49 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.57 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.11 156.1 35.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.78 -35.8 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -101.49 18.0 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -51.92 127.06 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -109.26 172.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -72.19 109.09 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 52.2 mt -134.47 143.51 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.11 155.39 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.27 -55.9 28.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -50.75 -63.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -41.85 -44.99 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -65.25 -48.45 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.84 -60.07 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -42.18 -47.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.69 -45.38 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.1 m -51.39 -40.91 60.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -87.3 -34.32 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -89.75 17.96 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 71' ' ' TYR . 10.5 tp -73.87 -5.28 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.66 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.0 t -106.2 -20.33 13.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.84 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.8 tt0 -118.04 27.06 0.12 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.84 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 p -104.58 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -102.07 17.95 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -68.71 -48.81 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 43.1 m-85 -79.97 15.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.22 -53.54 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.26 -53.73 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.58 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.83 -46.21 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 t -57.01 -40.36 76.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.53 -57.07 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 47' ' ' PHE . 85.4 t -60.95 -50.61 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.2 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' VAL . 7.7 t80 -37.79 -53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -66.98 -48.39 68.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.0 mt -40.52 -40.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -73.16 -67.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 117' ' ' GLU . 6.3 tm-20 -39.15 -35.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -41.05 -71.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.02 -37.98 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 m -46.53 -56.53 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 63.2 t80 -60.12 -59.36 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.7 p -43.63 -47.29 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.39 -51.28 53.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 59.5 t80 -48.59 -39.95 25.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.45 HD12 ' CE2' ' A' ' 121' ' ' TYR . 18.9 mt -56.94 -28.33 62.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -116.15 14.51 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 129' ' ' ILE . 97.6 p -84.15 116.84 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.6 m-20 -33.29 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' SER . 87.4 mt -58.61 -57.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 t80 -55.82 -46.86 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.973 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.808 0.337 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 14' ' ' LYS . 6.4 p -42.85 -38.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' N ' HG12 ' A' ' 13' ' ' VAL . 31.0 mttt -73.74 -49.19 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 48.9 m0 -42.87 -46.01 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.26 -35.51 20.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -40.88 -58.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.28 165.33 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 30.9 t80 -60.33 -43.06 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' LYS . 2.1 t70 -51.68 -64.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -34.01 -56.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 tp -48.08 -54.98 11.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 55.4 mt -56.47 -50.08 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -39.96 -41.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.99 141.84 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.34 -55.4 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -48.65 -48.27 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.56 97.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 tp -66.04 -51.01 62.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -54.37 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.86 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -55.91 -53.08 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 m -48.97 -44.27 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -52.76 -47.39 67.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -51.43 -44.79 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.426 ' HB3' ' C ' ' A' ' 41' ' ' SER . 15.3 mt -68.82 -42.69 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -42.98 -47.59 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -56.62 -32.83 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' LEU . 61.7 mm-40 -101.54 13.53 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 52.14 33.36 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.426 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.1 t -116.13 12.57 15.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -36.22 73.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.53 -31.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -54.94 -41.29 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.48 HG21 ' N ' ' A' ' 46' ' ' GLU . 8.6 tp -85.92 -25.66 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.48 ' N ' HG21 ' A' ' 45' ' ' ILE . 3.7 mm-40 -55.37 -39.22 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 39.2 t80 -76.33 -45.25 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.544 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 52.5 t90 -51.15 -44.47 61.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.1 mt -65.17 -44.4 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -43.27 44.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.1 m -56.61 -56.55 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 59.9 mm-40 -47.44 -53.54 13.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.473 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 17.1 t0 -69.96 -26.61 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.4 t80 -65.7 -49.3 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 9.2 ptpt -60.73 -43.28 98.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 53' ' ' ASP . 26.7 mtmt -39.02 -31.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.4 t -52.88 140.65 23.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -103.15 -38.59 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.75 164.31 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLN . 54.2 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -37.34 -66.17 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -45.83 -52.83 10.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.528 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.0 mt -47.88 -49.44 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 HD11 ' NE2' ' A' ' 61' ' ' GLN . 25.0 mt -51.4 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -55.77 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.42 -47.2 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -67.48 -54.45 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -57.74 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.32 -37.38 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.615 ' CE2' HG21 ' A' ' 75' ' ' ILE . 10.4 t80 -53.21 -69.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 39.5 mt-10 -64.94 -1.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 9.4 tttp -92.14 -50.16 5.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 11.7 m-85 -118.0 -48.23 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.615 HG21 ' CE2' ' A' ' 71' ' ' TYR . 31.0 mm -49.07 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.511 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 5.6 pt20 -55.51 147.72 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.511 ' C ' ' H ' ' A' ' 79' ' ' ALA . 8.7 m -76.35 -32.46 58.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.48 17.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -97.82 146.27 31.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -107.45 17.92 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -51.53 113.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -94.52 176.3 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.0 mt -126.19 143.65 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.58 145.61 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -50.89 -52.07 45.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 88' ' ' HIS . 2.7 t60 -51.87 -55.69 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.5 m -51.57 -42.7 62.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -65.05 -49.45 70.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.62 -58.39 8.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 83.8 t -44.49 -48.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.45 -39.66 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -53.4 -43.99 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -85.24 -31.78 22.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -92.35 17.8 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.453 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -75.36 -10.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.658 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 10.1 t -106.52 -18.76 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.8 mm100 -118.18 26.7 0.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.0 Cg_endo -69.85 125.55 12.23 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.609 2.206 . . . . 0.0 112.348 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.48 ' N ' ' HB3' ' A' ' 104' ' ' SER . 22.8 p -93.37 179.15 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 42.6 mt -56.81 -19.52 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -114.39 18.0 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 101' ' ' THR . 87.4 p -55.77 -33.56 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.84 17.8 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -62.12 -40.04 94.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.46 -53.65 7.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.3 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -54.97 -44.67 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -49.48 -51.85 33.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -48.28 -59.23 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 47' ' ' PHE . 54.5 t -60.71 -59.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.452 ' CE2' ' OE1' ' A' ' 117' ' ' GLU . 73.4 t80 -40.12 -52.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -66.64 -55.69 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.28 -49.56 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 50.1 mtm -74.62 -57.97 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 22.6 tt0 -43.85 -26.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -69.9 -69.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 120' ' ' SER . 21.3 m-20 -98.03 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 119' ' ' ASP . 64.7 m -32.3 -59.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.543 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 12.4 t80 -51.36 -64.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.5 p -51.89 -64.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -44.17 -53.63 6.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 27.0 t80 -39.94 -59.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.83 -36.15 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.88 -28.24 58.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' PHE . 33.4 p -62.2 127.99 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -37.66 6.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.9 mt -45.61 -50.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -68.52 -51.53 42.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.19 -35.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.83 -44.22 20.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.489 ' CH2' ' HA2' ' A' ' 28' ' ' GLY . 41.6 m0 -45.41 -32.3 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.83 15.58 6.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.37 -53.06 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.6 p -158.41 154.28 26.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.8 -42.57 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -59.65 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -40.19 -43.7 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 124' ' ' PHE . 10.1 tp -61.03 -47.78 84.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 mt -67.4 -34.27 76.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -64.75 -41.69 95.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -89.44 115.08 26.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -41.6 -65.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -41.66 -46.85 3.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.489 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.74 -43.42 99.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.99 -47.61 73.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.19 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -42.53 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -55.35 -54.39 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -48.58 -50.2 33.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -42.45 -62.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -45.33 -37.3 4.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.76 -40.92 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.95 -42.67 63.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 p -61.96 -37.58 85.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.597 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 63.6 mm-40 -92.7 13.76 19.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.41 31.96 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -107.86 -11.5 15.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.4 pp20? -41.2 -44.2 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.6 pt-20 -33.52 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLU . 77.8 m-20 -60.9 -58.24 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 46' ' ' GLU . 10.7 tp -62.42 -29.15 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 45' ' ' ILE . 5.1 mt-10 -56.89 -46.07 82.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 64.8 t80 -66.53 -37.51 85.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -59.48 -38.18 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.46 -48.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.4 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.1 m -55.49 -54.36 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -47.53 -55.93 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.49 -38.35 90.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 55' ' ' LYS . 1.4 t80 -58.4 -57.05 14.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 54' ' ' PHE . 16.4 ptpt -61.83 -33.62 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -65.48 -17.19 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -55.32 167.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -132.09 116.96 17.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.33 164.96 24.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -51.02 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -37.1 -65.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HG3' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp60 -49.46 -56.7 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mt -47.91 -47.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -63.71 -57.14 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 65' ' ' LEU . 11.2 mp -55.65 -56.56 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HE2' ' HG3' ' A' ' 62' ' ' GLN . 6.9 mmtm -52.2 -49.52 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.55 -53.71 42.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -56.16 -57.1 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.2 mt -50.7 -45.07 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' CB ' HD13 ' A' ' 97' ' ' ILE . 2.1 t80 -55.95 -62.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -63.85 -4.69 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 22.1 tttt -89.13 -69.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -98.5 -62.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' PHE . 49.9 mm -33.67 -67.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.0 138.26 25.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.17 160.03 25.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 63.76 32.06 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 73' ' ' LYS . . . -106.52 172.88 3.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.55 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.78 -31.77 19.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.6 mmtp -118.05 17.89 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 132.13 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.8 173.25 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -83.03 103.01 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -123.1 165.71 16.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.4 156.73 24.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -59.25 -59.28 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.75 -65.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -48.24 -52.3 21.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -52.0 -45.91 64.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -66.28 -59.2 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -40.79 -43.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.74 -46.04 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -51.48 -41.43 60.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -88.9 -32.01 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -91.27 18.02 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.475 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -76.45 -8.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.196 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.665 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 7.5 t -105.02 -21.87 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 pt20 -117.96 27.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.76 141.48 45.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.532 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 42.5 p -113.52 178.85 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.04 -19.56 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 19.8 p80 -108.94 18.01 21.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -57.59 -54.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -79.43 14.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.1 -54.09 50.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.53 -54.36 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.7 -55.71 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -44.7 -53.09 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -49.4 -45.69 46.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.31 -61.08 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' TYR . 48.7 t -54.8 -53.99 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.8 t80 -34.66 -43.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' LEU . 21.9 mt-30 -72.98 -49.54 28.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' GLN . 35.0 mt -35.02 -44.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' GLN . 3.5 mpp? -75.4 -68.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -41.0 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 116' ' ' MET . 61.1 mm-40 -58.55 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.03 -37.58 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.438 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 75.5 m -48.88 -54.16 16.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.512 ' CE1' HD21 ' A' ' 125' ' ' LEU . 32.6 t80 -56.01 -62.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.6 p -49.93 -37.79 33.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -70.61 -42.67 70.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 22' ' ' LEU . 68.1 t80 -60.68 -34.82 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 121' ' ' TYR . 80.6 mt -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -97.34 17.82 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.7 p -87.62 145.76 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -49.45 -54.09 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.2 mt -43.57 -58.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 2.4 t80 -59.54 -48.55 81.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.816 0.341 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.89 -30.87 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -82.26 -42.74 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 22' ' ' LEU . 43.5 m0 -42.49 -42.6 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.57 -37.71 61.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.9 mm-40 -34.51 -59.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.2 m -151.54 152.58 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.96 -46.75 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -55.1 -49.43 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 6.7 mtpt -42.44 -44.85 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 15' ' ' TRP . 5.9 tp -60.57 -59.81 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 38.7 mt -43.81 -51.65 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.977 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.8 t -37.33 -40.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -90.9 128.92 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -55.5 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.39 -51.63 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -57.99 -51.14 60.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.74 -45.31 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.08 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.53 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CE2' HD13 ' A' ' 36' ' ' LEU . 59.3 t80 -43.03 -46.0 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.4 m -58.69 -45.29 89.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -52.29 -59.77 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -47.16 -40.07 15.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 32' ' ' PHE . 18.2 mt -70.67 -43.6 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -44.67 -49.96 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.1 p -54.28 -38.13 65.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.6 11.0 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 52.49 36.1 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -117.49 -0.95 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -41.56 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -41.76 -33.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -53.06 -42.97 66.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 46' ' ' GLU . 9.2 tp -85.06 -26.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.472 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.9 mm-40 -54.74 -38.26 66.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 48.4 t80 -74.82 -45.47 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -48.22 -51.73 24.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.4 mt -59.23 -50.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.09 40.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 47' ' ' PHE . 54.5 m -48.39 -42.44 31.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.05 -57.08 9.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 66' ' ' LYS . 44.8 t0 -55.63 -33.39 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -58.87 -37.61 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LYS . 35.7 mtmt -65.15 -43.88 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 30.1 mtpt -34.57 -36.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 58.1 p -52.44 148.1 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 5.5 ptmm? -117.98 -36.67 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -97.0 167.45 24.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -37.57 9.1 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -63.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.3 tp60 -55.17 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLN . 55.3 mt -34.55 -67.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 98' ' ' THR . 4.1 m-70 -42.08 -46.63 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 65' ' ' LEU . 11.1 mp -67.98 -65.1 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 46.9 mttt -40.98 -42.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -51.87 60.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -60.4 -52.4 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.65 -57.17 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.94 -28.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.542 ' CE2' ' CG2' ' A' ' 75' ' ' ILE . 16.9 t80 -65.93 -68.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 30.7 mt-10 -61.36 -3.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 20.4 tttp -93.83 -51.84 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 46.4 m-85 -115.48 -52.53 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.542 ' CG2' ' CE2' ' A' ' 71' ' ' TYR . 27.9 mm -42.77 -69.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.534 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 7.4 pt20 -56.09 157.8 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 79' ' ' ALA . 2.9 m -90.53 -25.64 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 12.1 t0 -78.44 17.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -98.81 153.24 37.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.0 24.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -110.18 17.9 20.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.87 125.83 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.82 178.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -89.37 102.47 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 75' ' ' ILE . 17.4 mt -109.94 143.15 40.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -51.98 144.77 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -49.66 -57.22 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -57.16 -64.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.9 m -42.63 -54.22 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' ILE . 20.6 tttt -50.03 -45.41 52.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.6 tp10 -69.64 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' GLU . 95.5 t -35.66 -47.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ILE . 94.2 mt -61.64 -47.72 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -50.1 -43.45 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -82.12 -31.9 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m -96.16 17.75 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' ILE . 11.0 tp -73.58 -6.03 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.664 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -107.18 -19.33 13.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.834 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 1.8 tp60 -118.05 26.83 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.834 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.5 Cg_endo -69.73 126.5 13.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.2 p -102.35 177.59 4.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.4 -16.24 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -113.66 17.91 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -49.49 66.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -78.18 9.55 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.85 -41.96 96.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.66 -54.43 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.37 -50.95 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -46.71 -43.29 17.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.3 t -58.24 -47.56 83.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 111' ' ' ARG . 7.6 tpt85 -50.21 -59.56 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 47' ' ' PHE . 94.9 t -56.27 -51.01 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -45.73 -53.0 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.46 -40.77 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.517 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 6.9 mt -60.97 -24.48 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 72.1 mtm -95.2 -14.83 23.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tm-20 -94.04 -16.91 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -74.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.96 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.02 -37.64 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.3 m -48.17 -35.83 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -74.49 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.7 p -51.11 -39.86 57.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -73.55 -41.61 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 130' ' ' TYR . 10.2 t80 -49.47 -43.02 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.403 ' HA ' ' CG ' ' A' ' 130' ' ' TYR . 6.6 mt -65.42 -36.25 83.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -74.43 -29.9 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.2 p -58.83 131.87 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -42.19 -39.42 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.2 mt -44.88 -55.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.403 ' CG ' ' HA ' ' A' ' 125' ' ' LEU . 10.2 t80 -67.73 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.815 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.27 -41.86 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -74.25 -37.91 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -41.39 -48.89 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -59.17 -33.34 74.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.2 mm-40 -35.65 -58.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -150.94 161.55 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.5 t80 -60.57 -43.03 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.43 -44.16 84.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.41 -49.23 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.16 -52.24 59.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 39.3 mt -59.97 -47.99 83.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 5.7 p -37.72 -40.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -86.16 149.08 25.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -73.49 -60.32 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -49.34 -55.61 12.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.77 -41.17 43.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.553 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.4 -53.46 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -51.39 -62.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.82 -47.0 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 36' ' ' LEU . 57.7 t80 -51.77 -46.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.407 HG21 ' CG ' ' A' ' 37' ' ' LYS . 97.1 m -52.8 -56.41 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -38.44 -51.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -47.26 -51.63 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.0 mt -67.35 -43.09 82.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' CG ' HG21 ' A' ' 33' ' ' THR . 18.9 mtpt -44.41 -51.04 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -54.13 -38.64 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.38 12.78 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 52.81 34.86 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -117.38 14.31 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.88 -38.46 91.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.41 -37.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -57.08 -58.34 8.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 46' ' ' GLU . 7.3 tp -67.74 -37.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 45' ' ' ILE . 5.9 mt-10 -46.42 -41.34 13.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 73.8 t80 -68.3 -38.73 81.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 48' ' ' TRP . 13.8 t90 -58.04 -39.32 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -77.4 -37.5 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 -27.31 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.8 m -78.59 -67.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -42.36 -33.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -82.23 -40.86 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -52.36 -42.35 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' LYS . 39.9 mtmt -56.41 -46.28 80.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.7 mtpp -37.83 -32.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' LYS . 36.7 m -53.41 133.41 40.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -97.66 -56.66 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.38 164.61 54.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.533 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -38.22 -68.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.08 -48.47 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -49.92 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -55.06 -52.19 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.24 -62.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -47.16 -52.04 16.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.65 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -55.5 -55.19 34.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.78 -43.83 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.48 ' CB ' HD13 ' A' ' 97' ' ' ILE . 2.4 t80 -57.38 -61.19 2.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 29.6 mt-10 -62.74 -5.64 2.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 10.9 tttt -87.32 -69.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.09 -62.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' PHE . 44.1 mm -33.51 -69.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 4.4 pt20 -52.39 136.08 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -75.1 174.2 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 t70 48.28 31.99 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 73' ' ' LYS . . . -104.43 170.36 6.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.506 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.67 -30.6 22.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 36.3 mmtt -117.98 17.86 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -52.44 122.08 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -110.31 177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -86.97 112.88 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.8 mt -129.03 166.98 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -78.94 147.78 32.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.2 t80 -51.09 -62.0 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 92' ' ' VAL . 6.4 t-160 -44.74 -69.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.481 ' O ' HG21 ' A' ' 92' ' ' VAL . 43.1 m -45.55 -59.94 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -46.19 -20.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -97.41 -43.91 7.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 93' ' ' ILE . 1.5 m -55.45 -45.95 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.544 ' N ' HG22 ' A' ' 92' ' ' VAL . 96.4 mt -64.43 -46.26 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.8 m -49.97 -40.01 42.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -85.28 -35.16 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.8 t -87.74 17.99 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.48 HD13 ' CB ' ' A' ' 71' ' ' TYR . 10.9 tp -71.9 -9.09 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.632 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -105.12 -21.82 13.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.4 pt20 -118.12 29.52 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.71 127.31 14.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 p -106.67 178.25 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.2 mt -56.21 -24.12 39.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -102.12 17.85 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.1 t -68.34 -56.71 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -79.27 13.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.8 -47.15 79.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.45 -55.57 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.56 -47.96 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -47.46 -45.0 25.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.9 t -61.04 -49.88 75.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -40.45 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' TYR . 92.5 t -56.99 -58.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 65.1 t80 -37.49 -43.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -72.47 -56.52 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.56 -40.34 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLN . 63.3 mtm -74.1 -66.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.8 tm-20 -37.0 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' MET . 72.5 mt-30 -49.03 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -117.92 -35.73 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.9 m -50.53 -52.0 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 18.6 t80 -60.54 -68.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.1 p -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -65.6 -51.16 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 47.1 t80 -49.51 -36.86 24.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 121' ' ' TYR . 79.8 mt -61.75 -30.15 70.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -101.01 16.55 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -95.32 144.32 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.84 -45.81 93.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -46.88 -42.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 2.4 t80 -68.17 -58.66 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 14' ' ' LYS . 5.8 p -61.49 -31.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 13' ' ' VAL . 54.8 mttt -80.72 -48.09 13.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 47.4 m0 -42.06 -46.32 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.21 -37.16 7.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.1 mt-10 -37.39 -58.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -158.89 156.65 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 22.7 t80 -52.07 -47.69 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 38.7 t0 -44.08 -66.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -34.22 -55.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 tp -48.13 -55.41 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 19' ' ' PHE . 35.5 mt -60.13 -45.11 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 t -46.26 -43.06 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -81.51 155.51 25.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -76.43 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.35 -58.09 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.35 -38.87 9.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.6 -54.6 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -50.59 -48.11 57.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.89 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.87 -55.87 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.9 m -48.73 -44.73 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.08 -61.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -39.86 -44.88 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HB3' ' C ' ' A' ' 41' ' ' SER . 51.5 mt -69.18 -48.89 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -42.09 -46.81 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -59.65 -39.35 84.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -93.06 14.37 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 52.05 33.28 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.7 m -114.92 15.18 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 43' ' ' GLU . 1.6 pm0 -59.22 -42.55 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 7.0 pt-20 -37.76 -39.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.6 -54.47 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 46' ' ' GLU . 8.1 tp -75.45 -34.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' N ' HG21 ' A' ' 45' ' ' ILE . 23.2 mt-10 -46.69 -45.18 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 62.8 t80 -64.69 -42.76 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.503 ' CE2' HD13 ' A' ' 23' ' ' LEU . 31.2 t90 -51.26 -47.21 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.39 -35.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.05 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.562 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 86.3 m -71.7 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.4 -33.67 4.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -79.64 -40.1 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE1' ' HD2' ' A' ' 105' ' ' PHE . 2.8 t80 -52.15 -39.12 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' LYS . 36.2 mtmt -59.95 -47.21 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' LYS . 45.5 mttm -33.68 -42.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -52.32 147.49 7.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -118.03 -35.8 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.49 165.97 47.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -42.82 3.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' A' ' 65' ' ' LEU . 6.1 mm100 -47.28 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.3 mp0 -39.14 -52.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.3 mt -53.24 -49.43 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.15 -61.09 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD11 ' NE2' ' A' ' 61' ' ' GLN . 11.2 mp -49.25 -50.74 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 62' ' ' GLN . 41.8 mttt -64.16 -43.4 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.89 64.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -63.59 -49.24 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.32 -62.17 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -51.63 -36.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CD2' HG21 ' A' ' 75' ' ' ILE . 15.5 t80 -55.82 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 41.8 mt-10 -63.46 -0.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 34.9 tttt -90.26 -58.51 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 4.8 m-85 -118.05 -47.33 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 71' ' ' TYR . 25.8 mm -40.46 -69.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.58 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 10.8 pt20 -57.39 173.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.5 m -101.85 -38.61 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.406 ' C ' HE21 ' A' ' 76' ' ' GLN . 31.2 t0 -70.48 17.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -95.97 154.55 38.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.42 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.612 2.208 . . . . 0.0 112.385 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 8.7 mmtp -110.92 17.95 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.88 127.05 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.08 175.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -79.87 102.22 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.8 mt -122.77 139.12 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.01 145.37 50.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -50.45 -63.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -41.8 -56.51 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.0 m -50.36 -46.43 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -64.02 -56.67 13.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.8 -46.89 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.6 t -55.73 -45.34 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ILE . 97.3 mt -68.35 -41.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -54.66 -43.83 72.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -85.4 -25.13 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.7 t -100.46 17.33 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.46 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -75.81 -10.39 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.583 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 23.1 p -102.4 -21.98 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.773 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.1 pt20 -118.02 32.62 0.18 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.2 Cg_endo -69.72 148.41 65.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.9 p -132.02 177.41 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.13 -27.04 66.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.13 17.73 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.9 t -95.2 -68.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.4 m-85 -44.56 -37.68 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' PHE . 2.3 m-20 -35.91 -41.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.34 -60.38 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.09 56.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -45.56 -48.59 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.6 t -50.44 -40.43 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -57.62 -59.85 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.18 -48.54 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.448 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 23.3 t80 -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' LEU . 37.6 mm-40 -71.67 -56.9 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 114' ' ' GLN . 7.5 mt -33.84 -44.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.451 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 36.7 mtm -78.35 -56.95 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 42.6 tt0 -45.11 -20.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.7 mm100 -76.98 -69.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' SER . 86.5 m-20 -98.02 -64.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' ASP . 58.8 m -32.02 -51.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.0 -68.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -66.9 -35.83 80.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 130' ' ' TYR . 32.6 t80 -60.15 -38.03 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.35 -40.76 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -78.9 -17.43 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 p -67.24 137.3 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.29 -48.14 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -38.39 -47.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CD1' ' CE2' ' A' ' 124' ' ' PHE . 55.2 t80 -75.74 -55.3 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.08 -33.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -80.1 -39.83 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 29.5 m0 -38.24 -54.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -40.24 -40.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' GLY . 24.0 mt-10 -34.46 -56.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -153.39 162.97 40.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 23' ' ' LEU . 25.4 t80 -62.21 -39.58 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -55.21 -49.77 71.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -46.34 -49.92 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.46 -61.32 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 19' ' ' PHE . 34.2 mt -51.18 -51.23 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.0 t -34.3 -44.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -89.1 146.76 24.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -63.88 -62.17 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -43.85 -59.76 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.8 -42.95 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.33 -43.68 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.316 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.56 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.61 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.37 -60.51 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.2 m -39.48 -46.94 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -53.02 -50.46 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -48.19 -40.98 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' GLU . 40.6 mt -71.0 -56.08 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HG2' ' CD ' ' A' ' 42' ' ' GLU . 45.0 mttt -38.34 -48.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -56.28 -39.27 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 72.4 mm-40 -93.52 14.2 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 54.03 32.08 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.407 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 m -118.03 17.84 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.7 pt-20 -70.52 -35.26 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 1.8 pm0 -40.95 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' GLU . 94.5 m-20 -68.79 -57.19 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.433 HD13 ' CE ' ' A' ' 116' ' ' MET . 10.4 tp -70.43 -31.57 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' N ' HG23 ' A' ' 45' ' ' ILE . 21.5 mt-10 -49.81 -42.66 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.547 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 60.9 t80 -75.54 -41.12 55.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.412 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 45.6 t90 -53.52 -41.93 66.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' CYS . 64.1 mt -65.45 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.12 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' ILE . 90.4 m -72.09 -68.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' C ' ' OE1' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -44.65 -30.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 10.6 t70 -91.31 -25.49 19.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' LYS . 5.0 ptpp? -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 mtpt -34.96 -36.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 11.9 t -51.94 149.42 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -111.71 -34.78 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.86 169.23 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -42.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.587 2.192 . . . . 0.0 112.367 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -68.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.9 tp-100 -49.21 -51.55 32.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -49.4 -42.55 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.04 -50.29 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.58 -62.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 60.6 mttt -49.2 -43.74 42.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.7 -53.38 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -64.2 -50.65 67.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 -58.96 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.0 mt -59.31 -39.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 75' ' ' ILE . 5.4 t80 -51.64 -69.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 27.3 mt-10 -62.3 -0.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 24.3 tttt -89.66 -57.84 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.8 m-85 -118.02 -39.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.574 HG23 ' CE2' ' A' ' 71' ' ' TYR . 45.9 mm -54.18 -69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 6.0 pt20 -51.91 148.13 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HG3' ' A' ' 82' ' ' GLU . 22.7 m -73.77 -37.27 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 25.1 t70 -74.59 17.93 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -88.52 142.8 31.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.262 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -108.55 17.93 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 1.6 tm-20 -47.16 118.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -100.33 176.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -76.99 101.98 6.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.1 mt -130.93 143.13 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.92 149.01 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -44.68 -59.28 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -40.22 -59.92 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.1 m -48.73 -51.36 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.83 -34.09 75.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' THR . 1.8 tp10 -74.46 -68.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -34.48 -47.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 84.3 mt -63.11 -43.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' GLU . 99.6 m -51.07 -43.81 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -87.05 -28.3 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -94.77 17.46 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.453 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -79.78 -12.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.659 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -106.17 -22.2 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.837 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.4 pt20 -118.03 26.82 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.709 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.837 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.4 Cg_endo -69.74 136.95 34.35 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.409 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 60.9 p -107.68 179.29 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 mt -57.22 -18.78 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.409 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 6.3 p80 -111.5 17.76 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -61.5 -54.43 43.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -79.12 10.74 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.66 -46.11 91.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -59.31 3.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.62 12.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -52.94 -43.16 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.4 t -60.18 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -43.71 -50.9 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -71.68 -40.6 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -46.26 -49.82 16.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -70.37 -38.52 74.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.53 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 7.8 mt -58.12 -25.56 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.433 ' CE ' HD13 ' A' ' 45' ' ' ILE . 63.7 mtm -96.28 -17.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -93.36 -7.23 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.53 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -69.46 -71.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.01 -37.92 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.7 m -48.27 -44.74 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.14 -52.66 38.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.0 p -54.61 -38.68 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -72.84 -43.79 62.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 38.4 t80 -53.33 -39.0 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.4 -33.89 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -101.02 16.48 25.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 p -89.98 162.44 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -78.99 -37.88 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.3 mt -56.17 -38.8 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -73.86 -47.28 39.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.562 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 14' ' ' LYS . 7.5 p -41.89 -38.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 13' ' ' VAL . 33.9 mttm -75.0 -45.48 41.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.3 m0 -41.08 -47.85 3.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -49.07 -37.54 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' GLY . 38.8 mt-10 -34.97 -47.11 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -157.54 156.59 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.9 t80 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.8 -44.34 90.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -47.87 -44.1 29.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD13 ' CA ' ' A' ' 28' ' ' GLY . 7.3 tp -62.27 -61.51 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 48' ' ' TRP . 41.3 mt -39.26 -47.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -49.32 -42.42 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -77.37 135.3 38.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -65.08 -62.29 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.21 -45.18 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' CA ' HD13 ' A' ' 22' ' ' LEU . . . -56.82 -48.32 79.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.551 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.02 -58.57 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.28 -56.15 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.07 -41.08 59.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.568 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 74.8 t80 -63.13 -48.96 76.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m -54.1 -44.64 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 34' ' ' ARG . 29.8 mtt85 -51.83 -54.28 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.4 -41.91 14.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.86 -43.17 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.85 -46.75 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -57.2 -40.3 77.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -91.81 13.52 18.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 52.05 33.94 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -116.78 16.91 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.45 -40.48 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -41.18 -36.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -53.64 -54.68 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 46' ' ' GLU . 9.1 tp -72.6 -33.99 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 45' ' ' ILE . 12.9 mt-10 -46.98 -46.19 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' SG ' ' A' ' 51' ' ' CYS . 38.1 t80 -63.86 -49.48 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.518 ' CE2' HD13 ' A' ' 23' ' ' LEU . 42.9 t90 -42.2 -49.07 4.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.25 -42.39 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.38 -28.09 51.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.584 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 50.6 m -75.35 -68.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -43.63 -31.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.97 -34.91 20.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 105' ' ' PHE . 1.9 t80 -58.02 -39.25 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.83 -45.43 86.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -40.77 -34.51 0.39 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.7 m -53.95 166.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 54.7 pttt -143.28 124.89 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 63' ' ' ILE . . . 103.93 162.85 24.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -69.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -49.36 -58.57 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 59' ' ' GLY . 33.7 mt -45.18 -49.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -56.76 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -49.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -49.58 -46.25 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.83 -54.83 20.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.65 -54.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.87 -66.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.6 -41.55 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.5 ' CB ' HD13 ' A' ' 97' ' ' ILE . 1.1 t80 -58.11 -61.33 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 27.7 mt-10 -69.04 -0.1 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 22.5 tttt -96.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.5 m-85 -97.99 -63.45 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.497 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 35.7 mm -32.15 -73.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.539 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 5.2 pt20 -52.79 155.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.535 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -91.87 -33.12 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 17.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.539 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . . . -102.94 157.33 33.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -37.36 9.26 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -100.83 17.82 21.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.0 124.35 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -104.47 179.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.25 108.59 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -121.74 153.15 38.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.1 t70 -61.93 143.18 56.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.91 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 92' ' ' VAL . 77.9 t60 -52.48 -64.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.3 m -47.11 -41.22 16.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 16.4 tttt -63.3 -51.28 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.9 tp10 -65.16 -60.67 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 88' ' ' HIS . 96.6 t -34.56 -46.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.99 -52.65 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -45.68 -44.42 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -83.48 -34.43 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -88.27 18.02 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.5 HD13 ' CB ' ' A' ' 71' ' ' TYR . 11.2 tp -71.33 -10.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.633 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 t -103.61 -21.18 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.814 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.5 pt20 -118.1 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.66 132.35 23.29 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.3 p -109.39 178.85 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.19 -18.99 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -106.11 17.37 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -75.77 -55.03 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 54' ' ' PHE . 55.2 m-85 -73.79 7.11 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.48 -46.67 63.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.2 -46.73 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.13 94.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -55.54 -40.26 71.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 t -63.83 -38.41 91.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.424 ' CD ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.07 -54.72 43.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' A' ' 47' ' ' PHE . 95.0 t -61.01 -47.19 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -42.61 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.25 -54.21 32.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.424 HD13 ' CD ' ' A' ' 111' ' ' ARG . 13.3 mt -38.69 -42.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.19 -65.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -39.41 -33.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.93 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 -37.73 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.1 m -47.7 -53.23 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.797 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 21.6 t80 -65.91 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -41.02 -46.97 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.66 -48.87 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 41.4 t80 -49.24 -28.47 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.492 HD13 ' CZ ' ' A' ' 121' ' ' TYR . 93.7 mt -71.65 -30.31 65.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -107.12 16.81 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' ASP . 64.1 p -90.84 121.57 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.2 m-20 -35.37 -47.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.52 -54.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 5.8 t80 -54.64 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.849 0.357 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 14' ' ' LYS . 6.5 p -45.68 -36.28 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 13' ' ' VAL . 40.2 mttm -77.1 -49.22 15.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.0 m0 -36.76 -52.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.92 -41.54 6.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLY . 28.2 mt-10 -32.15 -59.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.1 p -151.31 156.68 41.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 23' ' ' LEU . 26.9 t80 -56.74 -39.47 74.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -54.28 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -39.54 -53.49 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -48.58 -50.16 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 19' ' ' PHE . 30.7 mt -61.9 -49.84 74.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -40.28 -43.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -77.35 140.55 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -64.88 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.32 -51.45 34.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.64 -55.56 22.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.454 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.57 -53.29 53.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.767 0.317 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -48.07 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.98 35.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 40.9 t80 -55.0 -45.8 75.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -55.66 -50.91 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 34' ' ' ARG . 10.3 mtp180 -43.83 -51.65 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 10.5 t80 -50.05 -41.95 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 34.8 mt -74.53 -43.94 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -46.1 -41.83 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -68.3 -36.29 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -92.31 14.49 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 51.2 34.57 11.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -109.25 -13.99 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pp20? -41.69 -45.89 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -33.88 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 76.3 m-20 -66.33 -56.84 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 46' ' ' GLU . 8.7 tp -62.26 -29.41 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 45' ' ' ILE . 7.4 mt-10 -54.0 -43.49 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.535 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 24.0 t80 -70.54 -45.19 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.476 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 75.5 t90 -50.38 -46.65 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.61 -49.41 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.85 -41.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.411 ' C ' ' HE2' ' A' ' 55' ' ' LYS . 72.0 m -61.51 -59.17 5.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -42.03 -39.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.61 -37.22 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.13 -44.14 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -67.18 -40.87 86.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -43.9 -30.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 58' ' ' LYS . 13.8 t -52.02 151.93 3.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' HG ' ' A' ' 57' ' ' SER . 38.6 mttm -117.87 -37.3 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.45 163.37 38.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.67 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 4.1 mm-40 -41.02 -70.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.509 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -34.52 -45.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.32 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.0 m-70 -68.62 -41.13 79.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 61' ' ' GLN . 10.9 mp -67.81 -59.15 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.6 mtmp? -51.3 -48.09 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.89 -53.6 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -58.73 -47.52 84.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -59.97 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.28 -36.62 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.595 ' CE2' ' CG2' ' A' ' 75' ' ' ILE . 7.7 t80 -57.36 -65.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 21.9 mt-10 -62.69 -0.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 19.7 tttp -92.77 -54.43 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.5 m-85 -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.595 ' CG2' ' CE2' ' A' ' 71' ' ' TYR . 45.3 mm -54.79 -69.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.509 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.07 145.2 17.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 79' ' ' ALA . 23.8 m -70.78 -39.09 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.27 18.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 77' ' ' THR . . . -92.95 143.1 26.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -25.3 28.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.269 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -108.07 17.96 21.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -49.55 110.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 27.7 m -94.74 176.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -84.42 108.95 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -124.93 144.69 50.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.06 161.6 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -61.37 -54.03 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -51.34 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.1 m -46.3 -58.91 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -47.94 -43.52 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' VAL . 5.1 tp10 -67.64 -63.72 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.4 t -36.08 -44.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' ILE . 87.9 mt -68.75 -45.74 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -51.46 -44.73 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -85.55 -31.41 22.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 22.5 m -93.46 18.02 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -74.15 -10.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.631 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.8 t -105.98 -17.76 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 20.6 pt20 -117.98 29.39 0.13 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.8 Cg_endo -69.72 154.66 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.418 ' H ' ' CB ' ' A' ' 104' ' ' SER . 61.5 p -136.13 177.93 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.13 -24.85 67.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -104.88 17.96 23.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.418 ' CB ' ' H ' ' A' ' 101' ' ' THR . 4.6 m -85.46 -69.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.3 m-85 -43.21 -34.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' PHE . 24.1 t70 -34.96 -46.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.11 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -51.23 -42.8 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 t -49.49 -49.81 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -57.27 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.4 t -58.57 -43.38 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.27 -46.53 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -72.81 -48.46 37.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.34 -40.39 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 118' ' ' GLN . 70.0 mtm -76.54 -60.7 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 tt0 -45.65 -20.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 116' ' ' MET . 7.9 mm-40 -61.77 -69.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.9 -37.87 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.407 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 71.5 m -49.88 -50.3 46.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 37.4 t80 -66.27 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -42.49 -47.74 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 mtt180 -63.45 -46.67 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 66.6 t80 -48.32 -40.8 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 74.8 mt -62.34 -35.45 79.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -97.63 14.88 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.3 p -98.2 132.32 43.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -46.1 52.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.8 mt -45.6 -44.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.4 t80 -69.97 -46.08 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.16 -30.96 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -76.8 -39.19 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.8 m0 -39.41 -59.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.08 -35.62 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 16' ' ' GLY . 68.5 mt-10 -32.12 -59.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.411 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . 69.5 m -157.13 156.92 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 8.4 t80 -55.45 -40.05 71.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -52.63 -60.81 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' CD ' ' HB2' ' A' ' 18' ' ' SER . 6.8 mptt -40.43 -53.99 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 46.7 mt -58.31 -47.02 85.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 t -43.0 -44.02 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 5.0 t-80 -88.77 140.88 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 2.9 tpm_? -71.14 -57.02 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 5.6 m-20 -41.16 -58.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.8 28.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.426 ' CD1' HD22 ' A' ' 23' ' ' LEU . 67.7 tp -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -48.96 -61.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.82 -45.5 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.02 -49.53 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -51.87 -44.22 63.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 34' ' ' ARG . 5.7 mtp85 -52.66 -48.51 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CE1' ' HD3' ' A' ' 123' ' ' ARG . 6.4 t80 -49.52 -43.63 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.13 -46.43 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.81 -47.9 8.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -95.55 12.43 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 52.22 32.03 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.32 16.7 14.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -60.6 -40.62 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -36.5 -34.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.487 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 19.7 m-20 -57.67 -49.79 75.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 46' ' ' GLU . 8.1 tp -75.41 -30.66 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.482 ' N ' HG21 ' A' ' 45' ' ' ILE . 5.0 mm-40 -50.79 -49.97 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 77.0 t80 -62.33 -41.78 98.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.53 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 19.0 t90 -56.78 -38.07 71.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.49 -55.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . . . -47.37 -30.31 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' PHE . 36.7 m -69.32 -64.44 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -26.16 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.26 -18.27 20.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -70.14 -48.73 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -70.12 -27.88 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 7.0 mtpm? -48.49 -29.02 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -53.67 166.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 9.1 ptpp? -117.79 -36.84 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -101.82 167.93 18.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.285 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -39.24 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -44.25 -47.99 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.569 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 62.6 mt -53.09 -52.91 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -53.65 -53.04 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -49.6 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -52.83 -51.06 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 63' ' ' ILE . . . -48.07 -58.07 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -51.29 -58.52 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.28 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 74' ' ' PHE . 36.9 mt -48.29 -41.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 1.8 t80 -58.01 -62.36 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 54.5 mt-10 -66.15 -3.6 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 9.7 ttpt -93.11 -65.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.598 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 1.7 m-85 -97.92 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 47.1 mm -35.23 -68.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 4.1 pt20 -53.58 142.58 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -81.64 171.11 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 52.35 32.1 10.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 73' ' ' LYS . . . -105.04 175.96 1.94 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.695 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.61 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -37.3 9.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -116.29 17.99 15.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 8.8 pt-20 -52.01 130.01 28.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.5 m -122.89 171.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -75.94 107.58 8.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.4 mt -129.81 143.62 50.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -60.45 149.52 33.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.35 -60.93 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -45.07 -53.16 8.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -54.91 -45.44 74.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -62.01 -52.75 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.44 -49.87 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.16 -47.47 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.57 -41.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 m -57.45 -43.78 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -86.64 -27.1 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 t -97.11 18.02 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.42 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.7 tp -73.91 -5.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.639 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 24.7 p -107.3 -20.86 13.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 77.6 mt-30 -118.01 28.37 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.76 122.43 9.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.584 2.189 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -97.67 178.52 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 63' ' ' ILE . 78.5 mt -63.75 -30.24 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -97.33 18.02 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -69.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 106' ' ' ASP . 20.2 m-85 -50.28 -34.58 23.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.2 t0 -32.45 -45.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.91 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.7 90.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -50.6 -41.03 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -63.2 -45.5 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.32 -48.58 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -40.68 -42.52 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.94 -43.88 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.5 mt -48.79 -45.05 39.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 120' ' ' SER . 57.4 mtm -73.01 -52.33 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 121' ' ' TYR . 16.2 tp10 -48.41 -17.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 116' ' ' MET . 27.7 mt-30 -63.48 -69.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.89 -38.0 3.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 116' ' ' MET . 2.0 m -49.32 -39.77 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.525 ' CD2' ' OE1' ' A' ' 117' ' ' GLU . 26.2 t80 -74.33 -65.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.9 p -44.55 -43.48 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -65.45 -48.0 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 53.0 t80 -47.65 -50.05 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.06 -24.96 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -100.88 -22.36 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 p -56.51 131.32 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -51.94 -36.64 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.4 mt -52.27 -41.02 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.584 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -73.8 -62.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.876 0.37 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.12 -33.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.65 -43.78 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' N ' ' A' ' 28' ' ' GLY . 43.4 m0 -47.31 -41.76 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.53 -29.34 11.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -44.72 -64.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -144.37 173.0 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -74.92 -36.78 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.62 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -55.39 -42.03 73.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 15' ' ' TRP . 12.5 tp -59.92 -55.96 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.66 -53.57 56.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -39.57 -40.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -82.64 148.31 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -77.81 -59.08 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -44.75 -54.03 6.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' N ' ' CH2' ' A' ' 15' ' ' TRP . . . -58.63 -50.76 63.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 tp -47.73 -50.15 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.86 -58.79 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.9 -50.45 46.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 34.3 t80 -54.01 -55.41 27.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.3 m -44.42 -48.08 9.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' HD12 ' A' ' 129' ' ' ILE . 41.2 mtt180 -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 19.0 t80 -46.84 -40.62 14.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.569 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 mt -71.88 -45.74 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -44.89 -47.81 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -54.72 -34.51 62.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.53 11.29 38.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 52.28 35.24 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 -4.82 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -40.56 -43.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 10.7 pm0 -34.21 -34.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 51.9 m-20 -57.78 -57.73 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 46' ' ' GLU . 9.0 tp -66.05 -27.36 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' N ' HG21 ' A' ' 45' ' ' ILE . 5.8 mt-10 -57.52 -42.62 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 52.7 t80 -70.74 -40.61 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -56.02 -42.37 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.8 mt -69.31 -47.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -41.96 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 47.6 m -56.43 -53.65 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -51.95 -38.46 56.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.45 -22.42 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' CYS . 11.7 t80 -62.83 -46.31 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -61.79 -45.36 94.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' LYS . 29.1 mtpt -33.2 -34.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.7 t -52.1 145.6 10.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -113.81 -37.79 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.77 169.64 30.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -44.15 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.15 -45.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.24 -51.65 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -53.52 -53.88 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -55.83 -53.92 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -54.36 -48.99 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.81 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -66.55 -55.49 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.465 HG21 ' CE1' ' A' ' 74' ' ' PHE . 19.5 mt -56.37 -37.91 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' CE2' HG23 ' A' ' 75' ' ' ILE . 6.1 t80 -55.93 -61.5 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.66 -4.06 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 15.6 tttp -91.72 -68.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 81' ' ' LYS . 1.6 m-85 -98.34 -61.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 71' ' ' TYR . 38.1 mm -35.83 -67.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -53.82 138.67 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 82' ' ' GLU . 1.3 m -77.15 173.31 12.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.49 31.94 6.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 73' ' ' LYS . . . -104.49 168.94 7.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 53.2 Cg_endo -69.87 -27.14 26.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 29.9 mmtt -118.03 18.0 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 77' ' ' THR . 8.8 tm-20 -52.13 117.55 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' O ' ' OE2' ' A' ' 82' ' ' GLU . 28.8 m -109.85 173.78 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -91.61 102.03 14.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.96 151.11 36.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.39 144.94 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.51 -50.21 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -61.39 -64.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -46.62 -42.79 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -64.06 -40.33 96.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 94' ' ' THR . 10.0 tt0 -75.16 -62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.5 p -38.25 -40.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.452 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -69.14 -37.8 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 91' ' ' GLU . 94.6 m -63.56 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -86.15 -21.26 27.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.1 m -107.29 18.04 22.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -70.62 -7.23 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.635 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 31.3 p -104.76 -20.93 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.818 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 15.3 mm-40 -118.06 29.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 p -95.86 174.42 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.64 -29.95 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -95.91 18.11 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 t -79.02 -70.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 13.2 m-85 -51.05 -34.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 32.2 t70 -35.33 -43.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.54 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.84 -48.7 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -46.36 -43.25 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.3 t -59.45 -42.49 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.463 ' NE ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -57.89 -62.13 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.9 t -54.93 -43.32 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -49.62 -48.25 49.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 28.0 mt-30 -64.08 -37.49 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 9.2 mt -65.87 -27.09 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 120' ' ' SER . 52.7 mtm -93.76 -12.65 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 6.8 tm-20 -95.88 -17.11 21.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.566 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.2 OUTLIER -57.89 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 122' ' ' THR . 0.3 OUTLIER -118.02 -35.92 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 116' ' ' MET . 13.1 t -52.81 -32.99 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.05 -66.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.512 ' HA ' ' CD1' ' A' ' 125' ' ' LEU . 3.6 t -56.22 -33.73 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -62.28 -52.03 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 62.9 t80 -45.07 -37.03 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 122' ' ' THR . 11.4 mt -57.75 -43.86 85.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -96.4 17.48 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 p -89.06 138.17 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -45.15 -46.87 12.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 71.0 mt -50.86 -56.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 130' ' ' TYR . 2.2 t80 -50.91 -43.9 59.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.97 -36.02 54.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLU . 27.2 mtmt -79.62 -42.69 24.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.2 m0 -36.05 -46.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.71 -42.3 77.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mt-10 -33.51 -63.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.8 p -135.42 151.46 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.85 -34.87 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.36 59.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -40.18 -59.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -41.82 -60.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -53.0 -44.19 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -47.08 -41.78 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.86 132.24 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -59.4 -57.44 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -41.13 -51.09 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.49 -48.82 79.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.17 -49.94 70.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.768 0.318 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.87 -55.91 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.11 80.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 36' ' ' LEU . 68.3 t80 -54.29 -49.81 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -56.01 -52.44 64.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -45.31 -52.3 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 123' ' ' ARG . 4.5 t80 -49.44 -42.78 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 45' ' ' ILE . 19.0 mt -72.8 -42.85 63.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -44.6 -48.46 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -59.91 -36.42 76.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -89.88 8.94 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 52.79 33.7 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -112.98 -7.2 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pm0 -43.95 -41.22 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -35.65 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.2 m-20 -66.26 -58.28 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 46' ' ' GLU . 6.9 tp -65.4 -40.46 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' N ' HG21 ' A' ' 45' ' ' ILE . 6.2 mt-10 -43.51 -48.08 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.571 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 71.1 t80 -63.44 -44.1 95.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.407 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 17.7 t90 -50.05 -40.17 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.86 -55.45 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.88 -43.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.5 m -58.88 -49.34 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 61.3 mm-40 -50.71 -50.34 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.02 -28.78 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 5.5 t80 -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -73.23 -40.58 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -37.58 -33.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -52.33 150.7 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -116.9 -37.8 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.7 165.94 31.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -38.34 -68.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -39.34 -65.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 71.5 mt -35.91 -55.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -53.32 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mp -49.64 -59.31 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -51.45 -42.71 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.82 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -64.41 -58.44 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.28 -54.97 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.66 -37.49 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.532 ' CD2' HG21 ' A' ' 75' ' ' ILE . 3.9 t80 -58.04 -60.41 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -64.84 -3.69 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttp -94.06 -58.56 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 15.0 m-85 -108.77 -62.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.532 HG21 ' CD2' ' A' ' 71' ' ' TYR . 46.3 mm -32.47 -73.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.565 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 7.3 pt20 -52.81 165.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -98.72 -27.75 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.96 17.95 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.565 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -102.87 154.71 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.92 -32.78 17.24 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 22.0 mmtt -103.44 18.06 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.05 128.44 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' CG2' HH22 ' A' ' 111' ' ' ARG . 32.7 m -114.41 157.47 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.571 ' O ' ' NH2' ' A' ' 111' ' ' ARG . 4.4 m-20 -77.95 102.18 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.447 HD22 ' NH2' ' A' ' 111' ' ' ARG . 15.5 mt -102.99 140.62 37.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' PHE . 1.4 m-20 -52.07 135.24 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -32.48 -51.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -68.23 -57.45 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.8 m -45.52 -35.62 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.61 -49.56 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' THR . 19.4 tt0 -63.25 -59.4 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -40.0 -47.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.57 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 98.1 mt -66.62 -36.6 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLU . 30.0 m -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.196 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -86.23 -16.18 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -109.75 17.93 20.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.433 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -77.0 -7.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.648 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.1 p -106.28 -23.61 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.829 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 7.4 mm100 -118.09 28.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.829 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.74 126.14 12.97 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.401 ' N ' ' HB2' ' A' ' 104' ' ' SER . 60.6 p -97.58 178.27 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.6 -23.53 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -104.72 16.7 25.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.401 ' HB2' ' N ' ' A' ' 101' ' ' THR . 1.4 t -69.03 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' ASP . 29.4 m-85 -51.13 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 105' ' ' PHE . 3.1 t70 -35.66 -46.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -56.06 27.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.92 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -48.31 -45.53 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -59.1 -24.61 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.641 ' HD2' ' C ' ' A' ' 111' ' ' ARG . 1.9 tmm_? -73.61 -61.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.518 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 26.2 t -56.4 -43.08 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -44.86 -39.35 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 115' ' ' LEU . 52.6 mt-30 -75.41 -63.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 114' ' ' GLN . 6.2 mt -34.09 -38.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' GLN . 78.8 mtm -74.72 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 117' ' ' GLU . 6.4 tm-20 -42.38 -22.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' MET . 17.6 mt-30 -59.1 -70.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -37.69 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 116' ' ' MET . 12.2 m -46.9 -46.71 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.546 ' CE1' HD21 ' A' ' 125' ' ' LEU . 19.5 t80 -69.23 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.4 p -44.02 -38.39 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 12.8 ttm180 -74.65 -37.2 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 73.4 t80 -62.74 -40.04 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.546 HD21 ' CE1' ' A' ' 121' ' ' TYR . 68.9 mt -59.7 -25.22 64.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -112.85 15.31 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 p -88.18 124.12 33.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -40.15 -41.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.2 mt -54.46 -54.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -60.57 -42.8 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -73.79 -44.55 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -59.09 -60.68 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.28 128.73 8.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -157.02 115.02 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -128.64 140.48 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.35 92.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 p -102.51 131.61 22.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.71 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -70.94 -36.39 72.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.99 -37.42 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -54.96 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.69 -38.27 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -74.93 -42.1 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 39.4 m0 -45.21 -39.77 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -55.26 -33.68 58.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.1 mm-40 -35.74 -48.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -162.93 157.13 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 24.0 t80 -57.29 -47.65 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -53.08 -51.24 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -43.87 -48.41 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD12 ' CA ' ' A' ' 28' ' ' GLY . 10.2 tp -57.52 -51.91 67.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 30.6 mt -57.93 -50.2 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -37.24 -43.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -92.16 140.11 29.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -63.83 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -43.92 -57.46 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.94 -55.53 17.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.411 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.12 -58.84 5.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.13 60.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -55.21 -47.47 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -59.38 -47.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.204 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -45.16 -50.3 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.87 -44.63 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.7 mt -69.27 -43.29 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 54.2 mttt -48.6 -46.1 38.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -61.96 -34.98 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -93.76 13.69 21.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 52.16 34.73 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 -13.99 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 43' ' ' GLU . 3.1 pm0 -40.65 -34.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 16.0 pt-20 -39.98 -38.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -59.94 -57.15 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 46' ' ' GLU . 7.0 tp -61.88 -31.93 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.8 mm-40 -55.41 -42.11 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 40.7 t80 -69.98 -45.68 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.545 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 29.3 t90 -52.39 -39.69 61.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' CYS . 15.4 mt -66.86 -66.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.0 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ILE . 94.5 m -68.3 -67.12 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 1.1 pp20? -42.77 -32.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -83.98 -36.22 23.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 18.4 t80 -53.22 -41.82 65.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 52' ' ' GLU . 7.6 mtmp? -61.25 -30.79 70.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -79.7 14.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -71.3 157.03 38.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -121.31 123.71 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.66 171.5 30.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -36.06 11.51 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 6.6 tp60 -52.08 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -47.5 -46.88 27.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 31.3 mt -58.73 -44.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.47 -52.3 53.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 61' ' ' GLN . 9.8 mp -54.92 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -52.85 -43.0 65.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.74 -57.14 13.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -53.28 -49.91 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.76 -66.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 57.5 mt -50.35 -38.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.507 ' CB ' HD12 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -59.63 -64.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 36.8 mt-10 -68.14 0.67 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.514 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 21.0 tttp -97.06 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 7.6 m-85 -98.03 -62.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 40.4 mm -31.93 -68.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.524 HE21 ' N ' ' A' ' 79' ' ' ALA . 5.5 pt20 -56.81 152.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 79' ' ' ALA . 6.8 m -91.03 -31.98 16.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 15.9 t0 -73.17 17.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.524 ' N ' HE21 ' A' ' 76' ' ' GLN . . . -104.79 161.48 22.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.74 -46.06 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -90.2 17.99 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 118.21 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.2 m -101.04 171.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -77.1 104.45 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 mt -126.59 160.92 29.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.22 143.62 47.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.91 -57.2 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -52.15 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.1 m -42.54 -40.54 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.37 -44.73 62.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.76 -62.11 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.8 -47.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.563 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 95.1 mt -65.02 -43.73 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.8 m -54.03 -41.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -85.52 -33.83 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.8 t -91.89 17.3 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.507 HD12 ' CB ' ' A' ' 71' ' ' TYR . 11.3 tp -66.86 -12.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.611 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.7 t -104.49 -15.99 15.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.797 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 80.0 mt-30 -117.99 30.41 0.15 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.87 148.83 65.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.6 p -134.2 177.75 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.18 -29.6 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -98.42 17.45 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -93.59 -63.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 8.1 m-85 -52.3 -38.08 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 17.9 t70 -32.79 -42.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.91 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.86 -48.23 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 56.6 tt0 -49.56 -41.17 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -54.91 -56.29 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.82 -53.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -39.18 -40.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -75.91 -53.44 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.2 mt -37.82 -49.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.473 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 35.6 mtm -69.42 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.2 tm-20 -43.37 -26.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -74.13 -67.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 120' ' ' SER . 72.8 m-20 -98.02 -66.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ASP . 55.9 m -31.95 -60.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -51.61 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.9 p -46.22 -58.11 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -53.98 -40.67 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 25.5 t80 -61.36 -40.22 93.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.13 -36.19 63.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -95.5 17.91 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.4 p -91.33 144.12 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.61 -52.83 35.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -43.8 -48.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 65.1 t80 -66.2 -66.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' TYR . 28.7 mt -33.83 -60.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' LEU . 28.0 t70 -35.09 -46.97 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.5 mt -39.24 -48.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.85 -38.33 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' GLY . 1.6 m 51.94 39.31 25.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 135' ' ' SER . . . -35.38 147.11 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.25 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 t -148.9 128.69 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.8 t -95.89 176.57 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -71.83 -53.6 12.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -67.41 130.19 42.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.92 -49.89 0.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -107.72 166.52 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -103.05 113.84 27.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.34 173.53 54.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -132.45 137.96 31.09 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.672 0.748 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.7 2.267 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -90.37 -40.06 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.58 -50.06 8.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.568 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -49.22 -43.56 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.6 -40.09 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -72.58 -43.06 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.2 m0 -44.35 -49.4 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.91 -38.65 65.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLY . 16.0 mm-40 -37.8 -46.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 t -160.83 162.36 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 29.7 t80 -62.37 -40.51 96.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.45 -42.98 99.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -52.67 -45.85 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 7.3 tp -60.96 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 19' ' ' PHE . 38.0 mt -57.81 -49.34 76.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -37.88 -48.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -87.13 136.62 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -64.21 -59.29 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.92 -54.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.98 -42.71 99.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.56 -48.85 80.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -49.98 -56.67 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.18 -42.18 50.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 36' ' ' LEU . 41.6 t80 -58.15 -62.14 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 m -43.13 -45.07 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -50.43 -60.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.24 -45.46 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 32' ' ' PHE . 36.2 mt -67.8 -46.69 71.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -44.36 -49.19 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -55.89 -39.6 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.64 13.26 22.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 52.44 37.01 21.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -116.53 13.2 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 1.2 pm0 -61.12 -40.56 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 17.0 pt-20 -39.51 -41.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -52.33 -53.24 46.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 46' ' ' GLU . 6.9 tp -71.63 -35.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' HG23 ' A' ' 45' ' ' ILE . 3.6 mm-40 -49.32 -42.98 43.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 112' ' ' VAL . 18.3 t80 -66.24 -41.59 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -57.52 -42.2 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.06 -53.1 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.53 -43.79 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 93.4 m -51.67 -53.46 38.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -52.01 -48.16 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.8 -39.5 94.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -59.18 -42.45 90.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.46 -44.73 90.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -38.87 -37.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t -52.43 148.92 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -113.89 -38.05 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.63 166.0 30.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.96 -35.45 12.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.28 -67.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -48.44 -49.33 35.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.4 mt -48.71 -41.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -70.51 -58.42 3.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mp -54.45 -60.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -52.13 -44.81 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.02 -56.5 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.23 -61.74 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.18 -58.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.1 mt -63.29 -40.97 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -57.16 -60.62 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 62.5 mt-10 -66.19 -1.52 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttm -96.41 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.4 m-85 -98.08 -62.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 49.9 mm -32.03 -72.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.547 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.47 158.95 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.53 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.5 m -94.52 -31.95 13.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 14.6 t0 -72.15 18.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.88 156.59 35.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 79' ' ' ALA . 53.4 Cg_endo -69.76 -32.21 19.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.56 18.03 22.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.03 119.71 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -104.44 175.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.72 107.0 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.8 mt -129.3 154.13 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.31 147.58 53.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -55.89 -53.44 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -56.17 -43.42 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.084 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -69.89 -43.56 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.49 -58.9 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -42.85 -47.34 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.222 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.569 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -64.35 -42.32 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.5 m -52.51 -41.81 63.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.38 -35.18 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -91.13 18.04 7.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.494 HD11 ' CB ' ' A' ' 71' ' ' TYR . 10.8 tp -69.29 -9.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.663 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.1 t -106.64 -15.5 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.835 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 mm100 -118.03 27.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.835 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.7 Cg_endo -69.74 149.41 67.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -133.86 177.86 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.82 -27.08 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -100.75 17.96 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.1 m -89.77 -66.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 106' ' ' ASP . 9.2 m-85 -47.82 -37.09 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.8 t70 -32.37 -45.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.85 -56.37 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.77 93.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -54.0 -43.23 69.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -60.15 -38.51 83.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -57.7 -60.57 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 47' ' ' PHE . 83.9 t -62.31 -51.85 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -40.9 -51.04 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 115' ' ' LEU . 26.4 mm100 -66.16 -56.79 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 114' ' ' GLN . 5.7 mt -35.21 -50.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.493 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 57.9 mtm -66.57 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.489 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 32.8 tt0 -39.95 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' MET . 53.5 mm-40 -69.88 -66.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' SER . 2.1 m-20 -98.0 -63.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.493 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 3.0 m -32.04 -56.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.422 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 33.9 t80 -57.11 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.7 p -42.12 -45.34 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.11 -34.13 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.06 -43.55 82.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.62 -36.48 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.71 15.85 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.4 p -90.31 129.83 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.39 -40.59 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.6 -51.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.19 -62.07 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt -51.05 -31.1 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.68 -58.65 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.65 -37.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 135' ' ' SER . 3.4 ptp -91.55 -35.61 14.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 134' ' ' MET . 6.8 t 53.21 42.63 32.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.87 143.79 18.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 121.86 8.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.7 m -78.59 132.51 37.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 t -88.91 -62.3 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -71.99 -59.46 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -107.13 125.44 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.39 99.51 0.32 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -129.79 139.17 51.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -54.46 -45.22 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 119.58 0.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -107.14 142.47 25.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.716 0.77 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 5.1 tp10 -82.92 -36.09 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -87.52 -52.56 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.2 -43.78 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -51.98 -38.4 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 4.4 mmtp -77.04 -45.48 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CD2' HD12 ' A' ' 22' ' ' LEU . 52.3 m0 -42.84 -41.6 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -57.19 -35.58 71.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLY . 6.2 mm-40 -34.12 -59.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -157.65 148.0 20.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 33.4 t80 -42.41 -49.47 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -56.1 -43.15 77.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -42.05 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 15' ' ' TRP . 8.3 tp -62.81 -59.17 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 19.7 mt -48.09 -50.31 28.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.1 t -37.32 -42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 19.7 t-80 -84.12 139.52 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -70.53 -53.7 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 m-20 -51.78 -49.95 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.503 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -63.51 -45.39 94.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.489 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.9 -45.41 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.15 -47.02 79.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.51 92.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 36' ' ' LEU . 85.6 t80 -53.51 -60.04 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.4 m -41.03 -53.86 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' PHE . 95.6 mtt180 -39.82 -64.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 17.2 t80 -37.5 -43.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mt -74.27 -46.85 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -47.06 -45.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -59.33 -37.77 78.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -95.13 14.24 22.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 52.44 34.28 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -109.17 -9.72 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -41.46 -43.18 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 6.3 pt-20 -33.92 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLU . 10.6 m-20 -63.02 -58.64 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 46' ' ' GLU . 8.6 tp -65.48 -37.93 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 45' ' ' ILE . 15.8 mt-10 -47.69 -43.46 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 82.1 t80 -68.93 -44.8 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 43.6 t90 -51.2 -47.35 62.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.62 -53.71 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.82 -41.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.56 -56.17 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.83 -45.48 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.03 -26.31 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -63.22 -48.07 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' LYS . 1.4 ptpm? -64.26 -38.69 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 54.4 mttp -38.15 -34.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.22 154.34 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -117.36 -37.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.59 163.84 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -51.24 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -39.01 -65.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -45.97 -44.33 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.34 -51.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -58.12 -40.27 80.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 65' ' ' LEU . 9.7 mp -69.27 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.7 mtmp? -53.36 -41.6 65.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.41 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.77 -51.4 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.5 mt -52.19 -41.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 3.9 t80 -50.27 -68.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 37.5 mt-10 -63.74 -4.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 39.9 tttt -82.5 -67.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -110.52 -49.04 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 46.9 mm -43.08 -66.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.472 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 4.4 pt20 -58.94 144.63 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.404 ' CG2' ' H ' ' A' ' 78' ' ' ASP . 1.3 m -78.3 177.97 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' H ' ' CG2' ' A' ' 77' ' ' THR . 5.6 m-20 47.39 32.09 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 80' ' ' PRO . . . -104.57 169.55 7.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.75 -31.54 20.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.4 mmtp -117.99 17.4 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -51.98 134.18 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -124.19 165.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -70.76 103.33 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.81 149.0 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.8 151.53 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -56.62 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.39 -41.3 13.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -63.04 -38.83 92.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.03 -39.71 60.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.79 -58.95 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.2 p -43.66 -46.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.556 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 93.1 mt -67.4 -42.41 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.6 m -55.98 -38.27 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -87.92 -33.01 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -91.06 17.96 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -71.81 -7.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.641 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.2 t -106.26 -20.79 13.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.822 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 25.4 pt20 -117.98 28.85 0.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.86 140.31 41.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.1 p -113.56 178.34 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.25 -18.47 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.22 18.04 20.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 t -61.45 -51.34 69.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -81.37 15.37 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.46 -51.87 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.81 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -47.0 -42.66 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -59.27 -39.82 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -61.33 -55.53 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' TYR . 87.6 t -60.01 -55.84 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t80 -36.32 -45.73 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' LEU . 17.3 mm-40 -70.51 -52.44 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLN . 4.1 mt -36.37 -43.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.422 ' CA ' ' HB3' ' A' ' 120' ' ' SER . 75.5 mtm -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 24.2 tt0 -46.79 -22.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -62.41 -69.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.86 -37.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.422 ' HB3' ' CA ' ' A' ' 116' ' ' MET . 32.8 t -49.86 -61.15 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -49.33 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -49.55 -35.61 20.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -70.66 -46.69 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.15 -37.89 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.36 -43.0 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -97.79 16.52 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.4 p -87.78 152.52 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.72 -50.23 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 90.9 mt -46.76 -47.19 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.545 ' CE2' ' HE1' ' A' ' 134' ' ' MET . 91.0 t80 -67.56 -61.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.03 -30.74 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.44 -55.6 4.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -44.57 -33.72 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.545 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 4.5 ptp -94.04 -34.51 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 134' ' ' MET . 5.3 t 52.27 43.49 30.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -135.74 -160.35 8.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 128.65 16.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.8 p -62.8 144.07 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -52.11 56.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -79.99 109.12 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -117.73 134.08 55.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.795 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.48 89.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 144.93 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -93.26 -58.23 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.23 165.9 13.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -120.43 156.12 55.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.52 -37.18 71.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.2 -45.79 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -55.53 -56.23 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.0 p -45.09 -39.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -72.74 -45.65 57.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.534 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.4 m0 -41.11 -42.38 1.99 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -56.74 -37.57 77.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLY . 33.5 mm-40 -37.81 -57.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.419 ' HG ' ' N ' ' A' ' 19' ' ' PHE . 32.3 t -149.42 150.04 31.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' N ' ' HG ' ' A' ' 18' ' ' SER . 29.8 t80 -55.68 -26.86 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.35 -54.69 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -46.63 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.58 -47.63 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.0 mt -65.06 -53.2 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LEU . 8.1 t -34.4 -44.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -83.13 150.97 25.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -77.92 -57.48 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.71 -52.27 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.14 96.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 tp -64.47 -54.28 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.706 0.288 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.71 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.12 -54.71 22.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 63.7 t80 -41.23 -50.98 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 37' ' ' LYS . 96.2 m -51.75 -60.92 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' THR . 47.4 mtm-85 -37.79 -54.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 4.9 t80 -47.86 -43.98 28.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.5 mt -72.83 -45.15 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.3 mtpt -44.04 -49.76 8.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -58.44 -38.98 78.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -92.09 13.91 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 52.12 33.62 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -106.54 -11.0 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 pp20? -44.04 -43.6 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.1 pt-20 -37.12 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.0 m-20 -72.66 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.428 HG21 ' O ' ' A' ' 42' ' ' GLU . 9.1 tp -66.42 -33.0 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' ' OE1' ' A' ' 42' ' ' GLU . 7.9 mt-10 -47.02 -43.96 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -70.22 -45.56 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.423 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.9 t90 -46.34 -46.77 18.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.06 -47.85 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.43 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.55 -50.43 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 15.5 mm-40 -55.8 -54.64 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -60.86 -33.47 73.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 22.5 t80 -60.12 -34.05 72.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' LYS . 42.8 mtmt -68.89 -44.9 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 36.4 mttm -37.27 -39.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 m -52.31 144.28 13.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.31 -33.75 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 58' ' ' LYS . . . -86.03 164.87 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -51.77 0.37 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -40.87 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.43 -53.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 70.3 mt -48.23 -54.09 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -59.74 -53.67 55.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -49.52 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -58.03 -55.06 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.3 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -63.86 -50.59 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -59.05 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.86 -36.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CE2' HG23 ' A' ' 75' ' ' ILE . 8.0 t80 -56.92 -68.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 48.3 mt-10 -63.89 -0.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 36.2 tttt -92.64 -53.2 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 9.2 m-85 -118.07 -45.28 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 71' ' ' TYR . 44.5 mm -50.93 -69.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.488 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 6.0 pt20 -52.0 147.5 7.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.4 m -75.1 -37.23 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -72.78 17.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 77' ' ' THR . . . -90.55 145.77 33.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.564 0.697 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.55 30.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.591 2.194 . . . . 0.0 112.305 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -115.46 18.03 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -50.44 115.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.32 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 104.65 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.4 mt -126.54 139.92 52.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.18 144.29 57.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -45.13 -53.98 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -53.78 -55.69 24.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.1 m -49.09 -43.12 40.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -69.45 -44.66 70.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 40.2 tt0 -64.01 -64.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -38.71 -47.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 91.9 mt -66.07 -36.96 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 88.2 m -55.0 -43.41 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.42 -33.5 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 t -90.02 18.03 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.439 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -74.24 -13.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.663 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -106.67 -16.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 30.3 mm-40 -118.01 27.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.8 157.22 61.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.739 2.293 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 p -133.33 176.98 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.9 -23.41 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -104.92 17.08 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.2 t -86.62 -70.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASP . 18.2 m-85 -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' PHE . 8.7 t70 -37.28 -41.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.06 14.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.14 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -50.99 -48.06 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 t -55.89 -40.14 72.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -53.8 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.28 -50.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -43.28 -47.11 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.15 -50.11 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.3 -49.66 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.466 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 53.9 mtm -64.41 -61.48 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -38.98 -29.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.6 mt-30 -53.22 -70.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.99 -37.72 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.466 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 67.4 m -47.63 -50.68 23.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.75 -59.62 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -49.77 -34.77 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 10.3 ttm180 -72.66 -49.66 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 58.7 t80 -51.78 -27.68 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.17 -30.27 63.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -103.12 16.96 25.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' ASP . 68.2 p -95.5 120.36 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' SER . 0.5 OUTLIER -34.65 -41.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.22 -56.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -68.89 -43.41 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.5 mt -45.59 -34.54 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' LEU . 15.2 t70 -72.38 -48.64 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 132' ' ' ASP . 10.8 mt -38.07 -45.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 135' ' ' SER . 8.2 ptp -92.37 -36.36 13.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 134' ' ' MET . 83.4 p 52.32 41.1 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 138' ' ' SER . . . -101.52 179.59 28.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 11.54 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 136' ' ' GLY . 7.6 t -82.65 17.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.1 m -92.86 -49.5 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -68.53 -59.41 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -148.19 156.36 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 112.26 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -98.35 18.05 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -93.76 -56.14 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.79 -139.91 15.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -157.2 114.27 1.93 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 110.865 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.53 30.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.713 2.275 . . . . 0.0 112.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.4 -38.19 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -77.67 -37.14 50.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB2' ' CE ' ' A' ' 134' ' ' MET . . . -54.05 -55.58 26.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.91 -35.72 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 52.4 mttt -73.84 -47.89 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -38.59 -53.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -44.18 -36.92 4.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' GLY . 35.3 mt-10 -33.58 -54.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -164.27 159.44 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 3.9 t80 -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.87 -45.6 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -54.09 -41.42 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.6 -61.17 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.17 -45.9 61.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -48.14 -42.01 28.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -80.89 146.62 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -55.42 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -53.15 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.63 -47.19 58.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.3 -54.44 37.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.325 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -48.92 -59.94 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.15 79.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CZ ' HD12 ' A' ' 36' ' ' LEU . 23.3 t80 -54.04 -49.63 68.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.4 m -50.81 -51.14 53.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -42.58 -61.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.0 t80 -39.83 -43.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 47.1 mt -72.49 -49.44 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.3 -46.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -38.99 82.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -96.01 15.72 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.97 34.04 12.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -104.11 -11.61 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.3 pp20? -42.67 -46.5 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -34.47 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-20 -65.01 -58.95 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 46' ' ' GLU . 9.0 tp -64.22 -35.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' N ' HG21 ' A' ' 45' ' ' ILE . 9.8 mt-10 -51.84 -46.1 64.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.504 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 89.6 t80 -65.36 -41.74 93.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -52.63 -46.57 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.35 -53.84 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.39 -25.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 54' ' ' PHE . 81.4 m -78.59 -69.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -44.89 -24.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.93 -29.26 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -62.58 -36.62 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LYS . 16.7 ptpt -75.37 -37.34 60.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.5 mtpp -37.98 -37.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.12 155.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 -37.17 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.6 165.04 23.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -42.88 2.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.92 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 2.9 tp60 -48.73 -45.17 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.556 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 95.0 mt -54.7 -43.34 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -63.44 -49.52 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.62 -61.1 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 69.2 mttt -54.79 -56.42 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.67 -55.2 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.39 -56.82 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.5 mt -49.11 -42.56 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' CB ' HD11 ' A' ' 97' ' ' ILE . 2.1 t80 -53.88 -66.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -64.01 -4.37 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 19.7 tttt -88.71 -69.48 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.02 -62.11 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' PHE . 43.5 mm -34.18 -67.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 4.6 pt20 -53.19 140.08 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -78.54 172.02 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.2 32.14 7.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -104.49 171.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 55.0 Cg_endo -69.71 -31.82 20.0 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.2 mmtp -117.99 16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 3.0 pp20? -52.04 114.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -100.7 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -72.08 104.49 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 72.0 mt -136.7 141.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.05 140.61 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -43.84 -46.42 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -50.36 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.2 m -43.36 -47.39 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -61.35 -48.98 78.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -54.39 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -49.71 -46.22 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.34 -43.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.5 m -53.33 -44.37 68.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -84.22 -33.12 24.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 t -92.41 18.04 9.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 71' ' ' TYR . 11.1 tp -69.43 -11.0 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.626 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -104.07 -19.9 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.812 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 31.5 mt-30 -118.06 29.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.1 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.274 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -97.82 177.83 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 63' ' ' ILE . 96.7 mt -69.86 -29.74 67.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -98.6 17.9 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -79.24 -70.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASP . 19.4 m-85 -44.87 -30.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -36.83 -41.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.11 77.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 52.8 tt0 -50.59 -39.65 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t -55.9 -55.26 34.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -43.36 -60.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.438 HG12 ' CE ' ' A' ' 116' ' ' MET . 76.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -41.7 -40.65 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -77.31 -51.74 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 7.1 mt -51.65 -34.32 37.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.438 ' CE ' HG12 ' A' ' 112' ' ' VAL . 62.3 mtm -80.18 -55.04 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 37.6 tt0 -51.53 -16.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 115' ' ' LEU . 4.5 pt20 -102.71 -38.12 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.07 -70.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 p -48.51 -45.09 36.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 125' ' ' LEU . 26.7 t80 -62.47 -67.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 p -39.65 -52.34 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 36.6 mtp180 -67.1 -48.84 66.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.72 -50.8 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 121' ' ' TYR . 87.5 mt -54.26 -35.32 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -103.5 17.5 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -91.47 136.91 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -45.28 -55.26 6.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.0 mt -41.63 -52.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.621 ' CE1' ' HE2' ' A' ' 134' ' ' MET . 28.2 t80 -63.29 -58.83 5.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.3 mt -53.5 -22.0 7.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 133' ' ' LEU . 19.1 t70 -72.7 -56.85 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 132' ' ' ASP . 1.7 mp -34.92 -51.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.621 ' HE2' ' CE1' ' A' ' 130' ' ' TYR . 0.1 OUTLIER -89.06 -33.55 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.49 ' N ' ' HG2' ' A' ' 134' ' ' MET . 13.7 t 63.69 45.99 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -138.82 149.9 20.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 127.38 14.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.381 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.9 p -100.21 128.76 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.7 m -105.36 145.54 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -45.5 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -59.19 -46.93 87.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.79 83.43 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.539 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 p -89.99 -45.83 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -50.04 -45.34 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.792 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.6 166.14 19.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 t -116.14 130.2 24.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.723 0.773 . . . . 0.0 110.777 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.03 32.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -76.16 -42.6 46.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -39.31 54.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -54.82 -52.48 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 14' ' ' LYS . 4.3 p -53.42 -31.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' N ' HG13 ' A' ' 13' ' ' VAL . 39.9 mttm -78.8 -48.67 14.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 53.7 m0 -37.8 -43.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.56 -41.45 73.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LYS . 22.6 mt-10 -38.04 -64.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -141.29 153.17 45.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.4 t80 -60.41 -40.67 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -57.03 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -40.0 -47.75 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD11 ' CD2' ' A' ' 15' ' ' TRP . 6.1 tp -55.38 -58.95 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.27 -50.01 65.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -39.47 -47.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.91 148.47 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -77.35 -55.25 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.93 -52.31 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.51 -54.35 37.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 tp -46.57 -54.68 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -49.74 -55.0 15.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.11 78.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.585 ' CE2' HD12 ' A' ' 36' ' ' LEU . 25.2 t80 -52.88 -48.26 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.5 m -52.6 -53.08 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -38.75 -54.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -48.68 -43.15 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 32' ' ' PHE . 14.8 mt -72.59 -46.99 51.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -41.84 -41.62 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -65.2 -36.15 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt-10 -94.56 11.5 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 52.04 33.32 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -107.8 -17.7 14.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.5 pp20? -39.06 -42.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' GLU . 11.1 pt-20 -33.41 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' GLU . 75.9 m-20 -63.41 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 46' ' ' GLU . 9.4 tp -60.2 -29.84 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' N ' HG21 ' A' ' 45' ' ' ILE . 9.9 mm-40 -53.89 -45.26 71.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 44.0 t80 -68.5 -46.81 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 13.8 t90 -51.26 -37.51 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.2 mt -71.11 -55.05 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.35 -36.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 92.8 m -60.77 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -44.34 -37.69 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -82.49 -34.25 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.8 t80 -58.79 -46.21 88.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.37 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.64 -31.03 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 m -56.09 144.57 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 107.12 14.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.99 162.21 11.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -38.41 -70.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -43.37 -52.96 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.556 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 66.8 mt -48.77 -54.23 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -51.05 -51.45 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.1 mt -52.4 -67.03 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -53.53 -58.08 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -38.86 -45.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -62.82 -53.07 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.56 -62.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.7 mt -49.78 -39.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -59.46 -66.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 21.6 mt-10 -66.96 -1.16 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 73.0 tttt -92.64 -62.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 5.5 m-85 -104.04 -63.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 74' ' ' PHE . 48.3 mm -32.05 -71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 6.2 pt20 -55.88 156.13 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.0 m -91.0 -30.36 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 16.9 t70 -72.81 18.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.577 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -104.8 156.86 35.35 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 79' ' ' ALA . 52.7 Cg_endo -69.81 -40.38 5.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -95.67 17.89 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -52.0 121.9 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.0 176.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.423 ' CG ' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -82.09 104.38 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 mt -126.51 146.91 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.21 142.68 46.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 4.3 t80 -50.26 -54.55 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -53.37 -61.86 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -42.89 -42.13 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.54 -51.9 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -56.6 -50.25 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -51.58 -43.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.38 -43.05 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -54.27 -42.08 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -87.51 -32.91 19.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -91.16 18.12 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.477 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -73.29 -9.79 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.655 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -105.07 -19.73 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 46.9 mt-30 -118.0 27.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.83 135.36 30.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 19.7 p -107.35 175.41 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.86 -24.24 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.478 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 7.5 p80 -105.16 18.03 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -61.56 -60.74 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' ASP . 65.6 m-85 -68.2 -27.13 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.6 t0 -32.97 -44.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.94 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.62 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 48' ' ' TRP . 22.6 tt0 -51.31 -43.56 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.3 t -48.16 -46.76 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.5 t -51.05 -51.13 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -45.3 -45.53 12.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.423 HD21 ' CG ' ' A' ' 84' ' ' ASN . 3.6 mt -43.95 -37.98 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' GLN . 37.7 mtm -75.65 -69.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.54 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 12.4 tt0 -37.95 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 116' ' ' MET . 24.3 mm-40 -41.81 -70.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -117.97 -34.42 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -49.32 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.432 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 19.4 t80 -69.46 -66.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.0 p -44.25 -46.45 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -69.87 -50.09 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 64.4 t80 -42.43 -40.73 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.75 -36.66 72.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -101.16 16.69 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.2 p -89.91 141.75 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 128' ' ' ASP . 7.9 t0 -57.47 -46.22 83.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.5 -52.49 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.555 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.2 t80 -59.45 -49.35 78.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.7 mt -63.7 -26.71 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.77 -59.46 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -43.31 -36.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 135' ' ' SER . 2.1 ptp -89.11 -33.06 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.1 p 47.37 40.36 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.82 -171.54 12.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 161.0 47.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.597 2.198 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.5 m -136.0 171.51 14.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -84.07 146.18 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.41 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -126.52 142.96 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -165.76 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.36 -82.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.412 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -94.45 171.71 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -88.21 170.12 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.74 77.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.8 p -94.91 142.68 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 0.0 110.793 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -28.41 25.4 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -55.75 -40.38 72.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -79.99 -41.7 25.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -49.04 -53.06 21.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.32 -36.01 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' TRP . 35.3 mttt -73.34 -50.26 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 50.9 m0 -36.85 -59.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -37.98 -39.87 0.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.545 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 40.0 mt-10 -35.1 -67.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -137.82 150.48 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.0 t80 -62.73 -28.78 70.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -67.21 -48.92 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 48.6 mttt -49.6 -40.71 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.82 -55.99 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD21 ' CZ ' ' A' ' 19' ' ' PHE . 74.4 mt -49.81 -53.55 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -44.24 -42.91 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 28' ' ' GLY . 24.6 t60 -73.58 143.67 46.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -78.1 -67.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.7 -54.13 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' H ' ' CD2' ' A' ' 25' ' ' HIS . . . -59.94 -43.02 98.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.0 tp -57.43 -40.99 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.3 -61.71 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.52 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 28.1 t80 -55.13 -49.16 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.5 m -53.28 -51.67 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -44.83 -60.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -39.49 -41.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 26.7 mt -74.15 -45.35 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.03 -46.55 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -61.43 -37.08 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.55 12.98 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 52.07 34.38 13.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -108.98 -11.6 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -45.24 -38.38 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -39.58 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-20 -74.29 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 tp -65.56 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -50.4 -40.82 50.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t80 -72.62 -41.14 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -51.82 -43.7 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 59.6 mt -68.16 -53.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.04 -41.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' PHE . 75.2 m -59.47 -62.76 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.8 mm-40 -36.26 -51.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.39 -36.31 74.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 19.6 t80 -55.69 -33.71 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 6.1 mttm -72.6 -29.58 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -83.02 17.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -71.04 164.45 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -126.94 132.93 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.14 167.03 3.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.69 29.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -63.78 -59.43 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -46.13 -48.56 17.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.67 -47.5 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -58.85 -42.87 90.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 65' ' ' LEU . 10.0 mp -68.9 -60.09 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -52.91 -45.71 67.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.97 -56.61 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -65.05 -61.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.17 -46.34 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -77.37 -36.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.453 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -59.23 -60.54 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 52.1 mt-10 -65.04 -3.67 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 67.6 tttt -88.03 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.509 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 4.4 m-85 -110.8 -59.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 74' ' ' PHE . 40.5 mm -32.12 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.55 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 7.5 pt20 -52.17 170.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -102.02 -30.04 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -74.76 17.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.55 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . . . -101.42 155.53 36.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -39.79 6.19 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -96.44 18.01 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.6 pp20? -51.96 113.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -92.87 179.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -78.41 102.16 7.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 30.7 mt -126.98 141.15 51.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -62.5 141.17 58.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.95 -57.47 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -44.16 -62.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -45.63 -42.84 11.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -65.89 -44.86 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.53 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.44 -48.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.579 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.9 mt -66.4 -44.4 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.3 m -50.62 -40.36 52.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -87.99 -32.52 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -89.78 17.64 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 9.5 tp -78.79 -7.71 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.645 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 5.2 t -105.24 -24.75 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.838 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.1 pm0 -118.17 27.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.0 Cg_endo -69.74 146.16 59.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.1 p -117.33 179.04 4.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.03 -13.17 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -110.57 17.89 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.2 t -66.41 -53.87 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.409 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 61.0 m-85 -78.2 9.48 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -60.61 -44.87 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -54.65 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.57 -53.34 7.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -44.58 -45.26 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -57.06 -48.17 79.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -56.81 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.67 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -44.89 -42.38 7.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -74.91 -46.61 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -46.69 -41.77 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.418 ' C ' ' HB2' ' A' ' 120' ' ' SER . 72.4 mtm -75.64 -68.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 34.3 tt0 -36.87 -33.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 116' ' ' MET . 11.1 mm-40 -49.27 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.96 -37.25 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.418 ' HB2' ' C ' ' A' ' 116' ' ' MET . 67.6 m -48.15 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 21.9 t80 -58.2 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.1 p -40.75 -43.69 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 126' ' ' LYS . 22.0 mtt180 -68.81 -50.79 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 53.2 t80 -53.49 -28.97 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.34 -22.62 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -117.91 -8.03 10.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 128' ' ' ASP . 90.2 p -57.94 120.88 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 127' ' ' SER . 5.4 m-20 -32.72 -47.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.9 mt -47.55 -52.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 2.9 t80 -60.04 -50.32 74.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.72 -30.06 68.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -76.75 -57.05 4.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 130' ' ' TYR . 0.7 OUTLIER -41.02 -38.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.3 ptp -86.6 -36.2 18.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.7 p 52.87 38.89 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.97 171.84 31.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.66 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 t -108.4 17.88 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 p -92.88 158.02 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -139.9 158.97 43.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -42.09 -60.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 -108.33 0.37 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -78.51 162.83 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -104.0 170.26 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.72 121.49 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 m -85.23 150.25 54.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.91 -30.08 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.26 -35.37 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -56.4 -64.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -43.16 -37.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' TRP . 63.6 mttt -74.16 -47.05 38.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.62 ' CH2' ' CA ' ' A' ' 28' ' ' GLY . 36.9 m0 -35.58 -51.06 0.63 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.02 -44.27 13.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 46.6 mt-10 -36.29 -64.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.3 m -139.07 155.53 47.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 20.3 t80 -61.84 -48.69 79.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -44.08 -43.39 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -53.06 -45.42 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -57.62 -60.85 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 48' ' ' TRP . 37.3 mt -54.23 -48.59 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -41.54 -44.89 3.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -83.29 158.77 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' CZ ' ' HG2' ' A' ' 30' ' ' GLU . 3.6 tpm_? -86.79 -58.06 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -48.05 -54.3 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.62 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -56.77 -48.82 74.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.562 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.2 tp -52.15 -52.82 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' HG2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 mm-40 -50.48 -60.66 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.52 -43.58 11.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -58.11 -49.35 77.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.9 m -50.27 -51.0 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -64.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.407 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 9.8 t80 -37.9 -43.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.4 mt -71.03 -47.13 60.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -43.79 -49.02 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -59.72 -37.08 77.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 25.1 mm-40 -91.15 14.08 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.16 31.94 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -116.56 16.58 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' GLU . 6.6 pt-20 -35.71 -29.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 47.2 m-20 -60.24 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.4 HG21 ' O ' ' A' ' 42' ' ' GLU . 10.3 tp -73.59 -36.27 46.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -43.22 -44.38 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.579 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 36.8 t80 -70.42 -48.1 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.511 ' CE2' HD12 ' A' ' 23' ' ' LEU . 52.3 t90 -43.97 -46.25 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.0 mt -64.47 -46.89 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.59 -43.56 36.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -50.3 -57.14 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.98 -61.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' CD ' ' A' ' 56' ' ' LYS . 26.0 t0 -53.02 -42.41 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -56.5 -45.55 80.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.55 -43.87 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 53' ' ' ASP . 20.4 mtpp -40.04 -36.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -52.44 149.26 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.99 -31.61 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . -97.15 166.29 23.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 -42.09 3.85 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -58.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -55.99 -61.7 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.6 mt -37.61 -54.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -54.68 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.22 -64.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -46.45 -46.96 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.54 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -58.12 -51.23 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.15 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.96 -39.15 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -58.22 -62.16 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 47.0 mt-10 -68.79 -0.69 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 8.3 tttp -95.04 -64.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 16.0 m-85 -102.62 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 34.7 mm -32.12 -73.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.571 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 6.1 pt20 -52.09 161.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 79' ' ' ALA . 5.7 m -95.11 -32.65 12.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 76' ' ' GLN . 6.8 p-10 -71.6 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.571 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -105.57 155.81 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.48 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -84.55 17.99 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -52.06 119.73 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -104.51 176.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -88.9 109.45 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.4 168.27 11.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.09 147.69 52.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 8.4 t80 -47.23 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.558 ' CD2' ' HB ' ' A' ' 92' ' ' VAL . 2.6 t-80 -60.26 -61.05 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -40.46 -38.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -69.07 -47.35 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 5.5 tp10 -70.65 -59.37 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -35.45 -47.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 97.7 mt -64.42 -43.61 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 59.9 m -55.49 -41.79 73.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.7 -25.73 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -100.43 17.89 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.438 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -72.96 -2.24 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.628 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.2 p -105.89 -24.26 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 57.2 mt-30 -118.03 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.3 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.9 p -106.05 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.58 -27.93 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.019 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.21 17.01 13.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 -63.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 106' ' ' ASP . 14.9 m-85 -55.38 -34.98 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.2 t70 -35.81 -47.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -55.45 33.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.32 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -53.08 -41.55 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -61.1 -55.96 26.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.17 -51.93 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.402 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 16.7 t80 -39.23 -46.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -70.73 -49.67 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.3 mt -41.15 -38.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 113' ' ' TYR . 40.8 mtm -76.54 -60.58 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 7.2 tm-20 -49.39 -17.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.49 -71.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -117.95 -37.86 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.4 m -48.89 -43.98 39.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -71.24 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.6 p -42.87 -44.44 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -69.15 -44.05 73.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 38.1 t80 -47.53 -37.03 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.59 -35.35 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -96.05 15.66 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.5 p -96.43 139.14 32.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -54.47 -43.29 71.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 57.9 mt -47.25 -57.55 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.532 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.8 t80 -53.34 -51.65 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt -60.93 -28.95 69.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.51 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -40.16 -38.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.513 ' HE2' ' CZ ' ' A' ' 130' ' ' TYR . 4.4 ptp -90.95 -35.47 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 134' ' ' MET . 22.9 t 51.98 42.27 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 61.0 159.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.07 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 70.1 m -62.12 -43.16 99.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.8 t -63.14 -59.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -73.33 115.87 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 110.821 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -109.98 127.47 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.52 136.3 13.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p -76.7 115.12 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.8 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -154.75 167.06 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 111.59 0.51 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.0 m -58.87 146.55 75.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.84 37.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -89.47 -38.25 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' CD ' ' NE2' ' A' ' 25' ' ' HIS . 39.3 mt-10 -79.76 -41.17 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -59.43 -48.77 80.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.65 -41.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' GLU . 40.0 mttm -72.44 -43.81 63.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 40.9 m0 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -62.36 -41.61 99.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' LYS . 32.7 mt-10 -33.51 -53.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -150.58 156.35 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -59.75 -47.34 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -51.73 -44.82 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -48.17 -45.24 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.74 -60.79 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 mt -46.44 -52.75 12.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -39.16 -43.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' NE2' ' CD ' ' A' ' 11' ' ' GLU . 3.5 t-80 -84.97 139.23 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' HD1' ' A' ' 25' ' ' HIS . 9.4 tpt180 -69.96 -59.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.17 -53.15 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.86 80.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 45' ' ' ILE . 50.9 tp -52.64 -47.13 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -49.06 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.3 -41.94 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 42.4 t80 -56.49 -46.18 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.6 m -53.59 -50.21 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.4 t80 -40.43 -39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 42.6 mt -73.74 -43.32 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -49.51 -41.79 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -63.46 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -94.06 13.26 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 52.33 36.97 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -114.13 -10.01 12.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 pp20? -43.19 -42.64 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pm0 -36.72 -26.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m-20 -68.13 -59.66 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 42' ' ' GLU . 10.3 tp -61.1 -32.75 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -53.76 -43.43 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CD2' HG21 ' A' ' 112' ' ' VAL . 37.6 t80 -73.66 -44.04 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -50.71 -48.78 58.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.77 -49.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.72 -42.57 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.98 -55.92 19.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -51.34 -46.86 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.96 -33.87 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 105' ' ' PHE . 43.2 t80 -59.53 -36.22 75.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.08 -41.81 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.9 t -52.63 149.77 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -117.53 -37.28 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.57 30.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.85 10.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 3.8 tp60 -42.1 -70.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 6.1 mm-40 -46.31 -62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLN . 66.2 mt -37.1 -39.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -72.08 -51.68 20.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.37 -63.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HE2' ' NE2' ' A' ' 62' ' ' GLN . 18.8 mttm -43.83 -54.08 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.29 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -56.89 -49.78 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -65.12 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.3 mt -53.3 -39.54 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -57.72 -65.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 70.0 mt-10 -67.51 -1.26 4.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 69.9 tttt -95.02 -63.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 5.7 m-85 -103.96 -62.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 33.1 mm -31.99 -70.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 6.2 pt20 -57.15 164.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.526 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -97.93 -32.49 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.57 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.11 156.1 35.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.78 -35.8 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -101.49 18.0 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -51.92 127.06 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -109.26 172.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -72.19 109.09 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 52.2 mt -134.47 143.51 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.11 155.39 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.27 -55.9 28.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -50.75 -63.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -41.85 -44.99 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -65.25 -48.45 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.84 -60.07 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -42.18 -47.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.69 -45.38 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.1 m -51.39 -40.91 60.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -87.3 -34.32 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -89.75 17.96 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 71' ' ' TYR . 10.5 tp -73.87 -5.28 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.66 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.0 t -106.2 -20.33 13.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.84 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.8 tt0 -118.04 27.06 0.12 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.84 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 p -104.58 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -102.07 17.95 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -68.71 -48.81 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 43.1 m-85 -79.97 15.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.22 -53.54 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.26 -53.73 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.58 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.83 -46.21 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 t -57.01 -40.36 76.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.53 -57.07 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 47' ' ' PHE . 85.4 t -60.95 -50.61 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.2 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' VAL . 7.7 t80 -37.79 -53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -66.98 -48.39 68.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.0 mt -40.52 -40.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -73.16 -67.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 117' ' ' GLU . 6.3 tm-20 -39.15 -35.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -41.05 -71.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.02 -37.98 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 m -46.53 -56.53 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 63.2 t80 -60.12 -59.36 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.7 p -43.63 -47.29 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.39 -51.28 53.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 59.5 t80 -48.59 -39.95 25.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.45 HD12 ' CE2' ' A' ' 121' ' ' TYR . 18.9 mt -56.94 -28.33 62.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -116.15 14.51 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 129' ' ' ILE . 97.6 p -84.15 116.84 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.6 m-20 -33.29 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' SER . 87.4 mt -58.61 -57.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CE1' ' HE1' ' A' ' 134' ' ' MET . 1.7 t80 -55.82 -46.86 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.5 mt -65.62 -36.19 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.7 m-20 -70.06 -59.86 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 134' ' ' MET . 0.3 OUTLIER -35.62 -40.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.568 ' HE1' ' CE1' ' A' ' 130' ' ' TYR . 7.4 ptp -90.62 -37.44 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 134' ' ' MET . 10.1 t 52.2 46.83 25.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 138' ' ' SER . . . -74.8 155.22 47.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 14.22 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 136' ' ' GLY . 54.5 m -60.72 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.6 m -40.45 -48.99 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -96.22 156.14 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.366 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -138.92 142.38 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.45 79.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -61.8 -44.08 97.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -87.67 142.87 27.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 133' ' ' LEU . . . -53.16 122.74 22.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.8 p -105.69 147.83 35.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -7.6 21.45 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.737 2.292 . . . . 0.0 112.385 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 15.8 pt-20 -89.75 -35.44 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.46 -56.52 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -48.15 -54.71 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 14' ' ' LYS . 6.4 p -42.85 -38.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' N ' HG12 ' A' ' 13' ' ' VAL . 31.0 mttt -73.74 -49.19 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 48.9 m0 -42.87 -46.01 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.26 -35.51 20.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -40.88 -58.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.28 165.33 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 30.9 t80 -60.33 -43.06 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' LYS . 2.1 t70 -51.68 -64.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -34.01 -56.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 tp -48.08 -54.98 11.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 55.4 mt -56.47 -50.08 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -39.96 -41.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.99 141.84 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.34 -55.4 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -48.65 -48.27 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.56 97.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 tp -66.04 -51.01 62.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -54.37 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.86 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -55.91 -53.08 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 m -48.97 -44.27 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -52.76 -47.39 67.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -51.43 -44.79 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 ' HB3' ' C ' ' A' ' 41' ' ' SER . 15.3 mt -68.82 -42.69 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -42.98 -47.59 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -56.62 -32.83 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' LEU . 61.7 mm-40 -101.54 13.53 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 52.14 33.36 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.426 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.1 t -116.13 12.57 15.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -36.22 73.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.53 -31.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -54.94 -41.29 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.48 HG21 ' N ' ' A' ' 46' ' ' GLU . 8.6 tp -85.92 -25.66 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.48 ' N ' HG21 ' A' ' 45' ' ' ILE . 3.7 mm-40 -55.37 -39.22 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 39.2 t80 -76.33 -45.25 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.544 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 52.5 t90 -51.15 -44.47 61.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.1 mt -65.17 -44.4 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -43.27 44.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.1 m -56.61 -56.55 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 59.9 mm-40 -47.44 -53.54 13.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.473 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 17.1 t0 -69.96 -26.61 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.4 t80 -65.7 -49.3 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 9.2 ptpt -60.73 -43.28 98.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 53' ' ' ASP . 26.7 mtmt -39.02 -31.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.4 t -52.88 140.65 23.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -103.15 -38.59 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.75 164.31 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLN . 54.2 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -37.34 -66.17 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -45.83 -52.83 10.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.528 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.0 mt -47.88 -49.44 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 HD11 ' NE2' ' A' ' 61' ' ' GLN . 25.0 mt -51.4 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -55.77 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.42 -47.2 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -67.48 -54.45 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -57.74 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.32 -37.38 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.615 ' CE2' HG21 ' A' ' 75' ' ' ILE . 10.4 t80 -53.21 -69.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 39.5 mt-10 -64.94 -1.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 9.4 tttp -92.14 -50.16 5.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 11.7 m-85 -118.0 -48.23 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.615 HG21 ' CE2' ' A' ' 71' ' ' TYR . 31.0 mm -49.07 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.511 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 5.6 pt20 -55.51 147.72 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.511 ' C ' ' H ' ' A' ' 79' ' ' ALA . 8.7 m -76.35 -32.46 58.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.48 17.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -97.82 146.27 31.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -107.45 17.92 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -51.53 113.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.8 m -94.52 176.3 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.0 mt -126.19 143.65 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.58 145.61 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -50.89 -52.07 45.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 88' ' ' HIS . 2.7 t60 -51.87 -55.69 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.5 m -51.57 -42.7 62.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -65.05 -49.45 70.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.62 -58.39 8.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 83.8 t -44.49 -48.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.45 -39.66 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -53.4 -43.99 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -85.24 -31.78 22.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -92.35 17.8 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.453 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -75.36 -10.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.658 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 10.1 t -106.52 -18.76 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.8 mm100 -118.18 26.7 0.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.0 Cg_endo -69.85 125.55 12.23 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.609 2.206 . . . . 0.0 112.348 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.48 ' N ' ' HB3' ' A' ' 104' ' ' SER . 22.8 p -93.37 179.15 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 42.6 mt -56.81 -19.52 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -114.39 18.0 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 101' ' ' THR . 87.4 p -55.77 -33.56 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.84 17.8 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -62.12 -40.04 94.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.46 -53.65 7.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.3 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -54.97 -44.67 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -49.48 -51.85 33.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -48.28 -59.23 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 47' ' ' PHE . 54.5 t -60.71 -59.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.452 ' CE2' ' OE1' ' A' ' 117' ' ' GLU . 73.4 t80 -40.12 -52.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -66.64 -55.69 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.28 -49.56 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 50.1 mtm -74.62 -57.97 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 22.6 tt0 -43.85 -26.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -69.9 -69.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 120' ' ' SER . 21.3 m-20 -98.03 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 119' ' ' ASP . 64.7 m -32.3 -59.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.543 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 12.4 t80 -51.36 -64.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.5 p -51.89 -64.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -44.17 -53.63 6.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 27.0 t80 -39.94 -59.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.83 -36.15 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.88 -28.24 58.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' PHE . 33.4 p -62.2 127.99 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.8 -37.66 6.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.9 mt -45.61 -50.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -68.52 -51.53 42.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.67 -33.68 34.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.8 t70 -61.07 -58.71 7.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 132' ' ' ASP . 4.2 mp -37.96 -52.17 1.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 9.5 ptp -76.88 -34.0 57.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.5 t -82.12 16.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.84 -171.59 20.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 109.0 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.393 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 86.0 p -80.58 114.67 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 t -55.75 114.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -81.12 -47.21 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -95.54 157.64 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.77 159.69 13.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -112.01 16.54 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -126.06 134.13 51.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.57 100.15 0.65 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -117.09 142.6 30.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 110.797 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -32.39 18.84 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.381 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -45.18 -31.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 14.4 mm-40 -82.89 -39.92 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.09 -55.28 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.19 -35.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.83 -44.22 20.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.503 ' CZ3' HD23 ' A' ' 133' ' ' LEU . 41.6 m0 -45.41 -32.3 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.83 15.58 6.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.37 -53.06 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.6 p -158.41 154.28 26.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.8 -42.57 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -59.65 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -40.19 -43.7 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 124' ' ' PHE . 10.1 tp -61.03 -47.78 84.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 mt -67.4 -34.27 76.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -64.75 -41.69 95.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.447 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 10.9 t-80 -89.44 115.08 26.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -41.6 -65.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -41.66 -46.85 3.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.489 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.74 -43.42 99.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.99 -47.61 73.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.19 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -42.53 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -55.35 -54.39 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -48.58 -50.2 33.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -42.45 -62.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -45.33 -37.3 4.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.76 -40.92 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.95 -42.67 63.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 p -61.96 -37.58 85.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.597 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 63.6 mm-40 -92.7 13.76 19.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.41 31.96 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -107.86 -11.5 15.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.4 pp20? -41.2 -44.2 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.6 pt-20 -33.52 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLU . 77.8 m-20 -60.9 -58.24 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 46' ' ' GLU . 10.7 tp -62.42 -29.15 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 45' ' ' ILE . 5.1 mt-10 -56.89 -46.07 82.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 64.8 t80 -66.53 -37.51 85.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -59.48 -38.18 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.46 -48.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.4 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.1 m -55.49 -54.36 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -47.53 -55.93 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.49 -38.35 90.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 55' ' ' LYS . 1.4 t80 -58.4 -57.05 14.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 54' ' ' PHE . 16.4 ptpt -61.83 -33.62 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -65.48 -17.19 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -55.32 167.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -132.09 116.96 17.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.33 164.96 24.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -51.02 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -37.1 -65.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HG3' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp60 -49.46 -56.7 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mt -47.91 -47.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -63.71 -57.14 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 65' ' ' LEU . 11.2 mp -55.65 -56.56 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HE2' ' HG3' ' A' ' 62' ' ' GLN . 6.9 mmtm -52.2 -49.52 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.55 -53.71 42.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -56.16 -57.1 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.2 mt -50.7 -45.07 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' CB ' HD13 ' A' ' 97' ' ' ILE . 2.1 t80 -55.95 -62.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -63.85 -4.69 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 22.1 tttt -89.13 -69.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -98.5 -62.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' PHE . 49.9 mm -33.67 -67.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.0 138.26 25.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.17 160.03 25.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 63.76 32.06 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 73' ' ' LYS . . . -106.52 172.88 3.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.55 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.78 -31.77 19.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.6 mmtp -118.05 17.89 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 132.13 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.8 173.25 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -83.03 103.01 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -123.1 165.71 16.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.4 156.73 24.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -59.25 -59.28 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.75 -65.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -48.24 -52.3 21.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -52.0 -45.91 64.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -66.28 -59.2 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -40.79 -43.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.74 -46.04 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -51.48 -41.43 60.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -88.9 -32.01 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -91.27 18.02 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.475 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -76.45 -8.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.196 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.665 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 7.5 t -105.02 -21.87 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 pt20 -117.96 27.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.76 141.48 45.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.532 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 42.5 p -113.52 178.85 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.04 -19.56 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 19.8 p80 -108.94 18.01 21.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -57.59 -54.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -79.43 14.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.1 -54.09 50.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.53 -54.36 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.7 -55.71 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -44.7 -53.09 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -49.4 -45.69 46.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.31 -61.08 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' TYR . 48.7 t -54.8 -53.99 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.8 t80 -34.66 -43.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' LEU . 21.9 mt-30 -72.98 -49.54 28.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' GLN . 35.0 mt -35.02 -44.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' GLN . 3.5 mpp? -75.4 -68.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -41.0 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 116' ' ' MET . 61.1 mm-40 -58.55 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.03 -37.58 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.438 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 75.5 m -48.88 -54.16 16.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.512 ' CE1' HD21 ' A' ' 125' ' ' LEU . 32.6 t80 -56.01 -62.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.6 p -49.93 -37.79 33.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -70.61 -42.67 70.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 22' ' ' LEU . 68.1 t80 -60.68 -34.82 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 121' ' ' TYR . 80.6 mt -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -97.34 17.82 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.7 p -87.62 145.76 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -49.45 -54.09 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.2 mt -43.57 -58.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 2.4 t80 -59.54 -48.55 81.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt -52.9 -38.7 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 133' ' ' LEU . 25.2 t70 -55.46 -51.85 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.503 HD23 ' CZ3' ' A' ' 15' ' ' TRP . 2.7 mp -37.2 -49.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 135' ' ' SER . 11.9 ptp -82.32 -36.97 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 134' ' ' MET . 10.2 p 52.05 41.68 30.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 122.89 160.01 10.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.741 2.294 . . . . 0.0 112.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t 66.26 41.31 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 140' ' ' GLY . 6.7 t 58.64 42.65 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 139' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -88.58 118.79 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -104.29 17.76 23.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.89 68.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.553 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -163.78 166.97 21.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -127.61 132.72 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.77 128.43 14.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -78.95 141.4 58.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -26.86 27.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.379 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.59 -39.22 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.85 -51.77 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.96 -54.23 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.89 -30.87 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -82.26 -42.74 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 22' ' ' LEU . 43.5 m0 -42.49 -42.6 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.57 -37.71 61.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.9 mm-40 -34.51 -59.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.2 m -151.54 152.58 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.96 -46.75 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -55.1 -49.43 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 6.7 mtpt -42.44 -44.85 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 15' ' ' TRP . 5.9 tp -60.57 -59.81 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 38.7 mt -43.81 -51.65 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.977 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.8 t -37.33 -40.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -90.9 128.92 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -55.5 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.39 -51.63 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -57.99 -51.14 60.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.74 -45.31 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.08 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.53 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CE2' HD13 ' A' ' 36' ' ' LEU . 59.3 t80 -43.03 -46.0 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.4 m -58.69 -45.29 89.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -52.29 -59.77 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -47.16 -40.07 15.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 32' ' ' PHE . 18.2 mt -70.67 -43.6 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -44.67 -49.96 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.1 p -54.28 -38.13 65.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.6 11.0 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 52.49 36.1 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -117.49 -0.95 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.24 -41.56 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -41.76 -33.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -53.06 -42.97 66.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 46' ' ' GLU . 9.2 tp -85.06 -26.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.472 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.9 mm-40 -54.74 -38.26 66.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 48.4 t80 -74.82 -45.47 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -48.22 -51.73 24.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.4 mt -59.23 -50.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.09 40.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 47' ' ' PHE . 54.5 m -48.39 -42.44 31.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.05 -57.08 9.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 66' ' ' LYS . 44.8 t0 -55.63 -33.39 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -58.87 -37.61 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LYS . 35.7 mtmt -65.15 -43.88 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 30.1 mtpt -34.57 -36.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 58.1 p -52.44 148.1 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 5.5 ptmm? -117.98 -36.67 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -97.0 167.45 24.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -37.57 9.1 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -63.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.3 tp60 -55.17 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLN . 55.3 mt -34.55 -67.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 98' ' ' THR . 4.1 m-70 -42.08 -46.63 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 65' ' ' LEU . 11.1 mp -67.98 -65.1 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 46.9 mttt -40.98 -42.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -51.87 60.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -60.4 -52.4 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.65 -57.17 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.94 -28.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.542 ' CE2' ' CG2' ' A' ' 75' ' ' ILE . 16.9 t80 -65.93 -68.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 30.7 mt-10 -61.36 -3.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 20.4 tttp -93.83 -51.84 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 46.4 m-85 -115.48 -52.53 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.542 ' CG2' ' CE2' ' A' ' 71' ' ' TYR . 27.9 mm -42.77 -69.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.534 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 7.4 pt20 -56.09 157.8 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 79' ' ' ALA . 2.9 m -90.53 -25.64 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 12.1 t0 -78.44 17.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -98.81 153.24 37.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.0 24.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -110.18 17.9 20.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.87 125.83 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.82 178.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -89.37 102.47 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 75' ' ' ILE . 17.4 mt -109.94 143.15 40.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -51.98 144.77 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -49.66 -57.22 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -57.16 -64.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.9 m -42.63 -54.22 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' ILE . 20.6 tttt -50.03 -45.41 52.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.6 tp10 -69.64 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' GLU . 95.5 t -35.66 -47.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ILE . 94.2 mt -61.64 -47.72 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -50.1 -43.45 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -82.12 -31.9 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m -96.16 17.75 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' ILE . 11.0 tp -73.58 -6.03 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.664 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -107.18 -19.33 13.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.834 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 1.8 tp60 -118.05 26.83 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.834 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.5 Cg_endo -69.73 126.5 13.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.2 p -102.35 177.59 4.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.4 -16.24 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -113.66 17.91 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -49.49 66.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -78.18 9.55 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.85 -41.96 96.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.66 -54.43 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.37 -50.95 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -46.71 -43.29 17.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.3 t -58.24 -47.56 83.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 111' ' ' ARG . 7.6 tpt85 -50.21 -59.56 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 47' ' ' PHE . 94.9 t -56.27 -51.01 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -45.73 -53.0 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.46 -40.77 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.517 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 6.9 mt -60.97 -24.48 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 72.1 mtm -95.2 -14.83 23.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tm-20 -94.04 -16.91 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -74.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.96 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.02 -37.64 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.3 m -48.17 -35.83 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -74.49 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.7 p -51.11 -39.86 57.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -73.55 -41.61 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 130' ' ' TYR . 10.2 t80 -49.47 -43.02 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.403 ' HA ' ' CG ' ' A' ' 130' ' ' TYR . 6.6 mt -65.42 -36.25 83.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -74.43 -29.9 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.2 p -58.83 131.87 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -42.19 -39.42 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.2 mt -44.88 -55.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.403 ' CG ' ' HA ' ' A' ' 125' ' ' LEU . 10.2 t80 -67.73 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 134' ' ' MET . 51.1 mt -41.6 -35.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 133' ' ' LEU . 52.7 t0 -58.21 -57.66 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.42 HD22 ' CZ3' ' A' ' 15' ' ' TRP . 1.8 mp -38.11 -48.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 12.3 ptp -77.6 -38.27 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 134' ' ' MET . 11.4 t 53.42 40.69 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.29 145.7 30.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 165.82 29.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.1 t -112.69 133.6 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 70.1 m -71.74 -50.13 32.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -72.29 131.13 42.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -91.69 -43.93 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.68 134.43 12.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 m -125.78 159.52 32.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -53.84 101.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.86 102.82 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.539 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -153.48 152.52 27.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -3.96 13.04 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -86.35 -36.12 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 11.7 pt-20 -85.76 -49.36 8.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.1 -41.11 74.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.27 -41.86 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -74.25 -37.91 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 11' ' ' GLU . 45.0 m0 -41.39 -48.89 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -59.17 -33.34 74.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.2 mm-40 -35.65 -58.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -150.94 161.55 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.5 t80 -60.57 -43.03 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.43 -44.16 84.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.41 -49.23 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.16 -52.24 59.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 39.3 mt -59.97 -47.99 83.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 5.7 p -37.72 -40.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -86.16 149.08 25.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -73.49 -60.32 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -49.34 -55.61 12.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.77 -41.17 43.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.553 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.4 -53.46 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -51.39 -62.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.82 -47.0 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 36' ' ' LEU . 57.7 t80 -51.77 -46.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 HG21 ' CG ' ' A' ' 37' ' ' LYS . 97.1 m -52.8 -56.41 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -38.44 -51.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -47.26 -51.63 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.0 mt -67.35 -43.09 82.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' CG ' HG21 ' A' ' 33' ' ' THR . 18.9 mtpt -44.41 -51.04 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -54.13 -38.64 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.38 12.78 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 52.81 34.86 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -117.38 14.31 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.88 -38.46 91.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.41 -37.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -57.08 -58.34 8.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 46' ' ' GLU . 7.3 tp -67.74 -37.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 45' ' ' ILE . 5.9 mt-10 -46.42 -41.34 13.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 73.8 t80 -68.3 -38.73 81.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 48' ' ' TRP . 13.8 t90 -58.04 -39.32 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -77.4 -37.5 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 -27.31 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.8 m -78.59 -67.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -42.36 -33.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -82.23 -40.86 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -52.36 -42.35 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' LYS . 39.9 mtmt -56.41 -46.28 80.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.7 mtpp -37.83 -32.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' LYS . 36.7 m -53.41 133.41 40.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -97.66 -56.66 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.38 164.61 54.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.533 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -38.22 -68.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.08 -48.47 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -49.92 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -55.06 -52.19 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.24 -62.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -47.16 -52.04 16.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.65 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -55.5 -55.19 34.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.78 -43.83 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' CB ' HD13 ' A' ' 97' ' ' ILE . 2.4 t80 -57.38 -61.19 2.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 29.6 mt-10 -62.74 -5.64 2.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 10.9 tttt -87.32 -69.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.09 -62.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' PHE . 44.1 mm -33.51 -69.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 4.4 pt20 -52.39 136.08 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -75.1 174.2 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 t70 48.28 31.99 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 73' ' ' LYS . . . -104.43 170.36 6.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.67 -30.6 22.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 36.3 mmtt -117.98 17.86 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -52.44 122.08 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -110.31 177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -86.97 112.88 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.8 mt -129.03 166.98 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -78.94 147.78 32.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.2 t80 -51.09 -62.0 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 92' ' ' VAL . 6.4 t-160 -44.74 -69.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.481 ' O ' HG21 ' A' ' 92' ' ' VAL . 43.1 m -45.55 -59.94 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -46.19 -20.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -97.41 -43.91 7.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 93' ' ' ILE . 1.5 m -55.45 -45.95 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.544 ' N ' HG22 ' A' ' 92' ' ' VAL . 96.4 mt -64.43 -46.26 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.8 m -49.97 -40.01 42.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -85.28 -35.16 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.8 t -87.74 17.99 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.48 HD13 ' CB ' ' A' ' 71' ' ' TYR . 10.9 tp -71.9 -9.09 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.632 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -105.12 -21.82 13.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.4 pt20 -118.12 29.52 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.71 127.31 14.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 p -106.67 178.25 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.2 mt -56.21 -24.12 39.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -102.12 17.85 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.1 t -68.34 -56.71 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -79.27 13.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.8 -47.15 79.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.45 -55.57 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.56 -47.96 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -47.46 -45.0 25.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.9 t -61.04 -49.88 75.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -40.45 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' TYR . 92.5 t -56.99 -58.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 65.1 t80 -37.49 -43.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -72.47 -56.52 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.56 -40.34 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLN . 63.3 mtm -74.1 -66.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.8 tm-20 -37.0 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' MET . 72.5 mt-30 -49.03 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -117.92 -35.73 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.9 m -50.53 -52.0 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 18.6 t80 -60.54 -68.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.1 p -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -65.6 -51.16 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 47.1 t80 -49.51 -36.86 24.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 121' ' ' TYR . 79.8 mt -61.75 -30.15 70.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -101.01 16.55 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -95.32 144.32 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.84 -45.81 93.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -46.88 -42.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 2.4 t80 -68.17 -58.66 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.43 -22.28 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -83.62 -58.16 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.418 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -40.42 -33.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 135' ' ' SER . 2.8 ptp -92.83 -34.71 13.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 134' ' ' MET . 8.5 t 52.57 44.35 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -81.88 -169.39 42.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.44 5.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.3 t 61.24 42.46 12.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.4 p -131.81 117.93 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -143.7 140.41 30.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -88.78 112.14 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 68.35 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 p -60.66 145.33 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -111.86 145.1 40.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.9 132.63 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t -148.36 139.68 13.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.726 0.774 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -9.99 27.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 6.3 tp10 -74.82 -41.26 60.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.0 -37.09 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -55.98 -43.68 77.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 5.8 p -61.49 -31.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 13' ' ' VAL . 54.8 mttt -80.72 -48.09 13.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 47.4 m0 -42.06 -46.32 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.21 -37.16 7.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.1 mt-10 -37.39 -58.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -158.89 156.65 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 22.7 t80 -52.07 -47.69 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 38.7 t0 -44.08 -66.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -34.22 -55.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 tp -48.13 -55.41 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 19' ' ' PHE . 35.5 mt -60.13 -45.11 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 t -46.26 -43.06 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -81.51 155.51 25.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -76.43 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.35 -58.09 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.35 -38.87 9.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.6 -54.6 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -50.59 -48.11 57.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.89 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.87 -55.87 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.9 m -48.73 -44.73 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.08 -61.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -39.86 -44.88 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HB3' ' C ' ' A' ' 41' ' ' SER . 51.5 mt -69.18 -48.89 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -42.09 -46.81 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -59.65 -39.35 84.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -93.06 14.37 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 52.05 33.28 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.7 m -114.92 15.18 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 43' ' ' GLU . 1.6 pm0 -59.22 -42.55 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 7.0 pt-20 -37.76 -39.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.6 -54.47 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 46' ' ' GLU . 8.1 tp -75.45 -34.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' N ' HG21 ' A' ' 45' ' ' ILE . 23.2 mt-10 -46.69 -45.18 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 62.8 t80 -64.69 -42.76 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.503 ' CE2' HD13 ' A' ' 23' ' ' LEU . 31.2 t90 -51.26 -47.21 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.39 -35.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.05 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.562 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 86.3 m -71.7 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.4 -33.67 4.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -79.64 -40.1 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE1' ' HD2' ' A' ' 105' ' ' PHE . 2.8 t80 -52.15 -39.12 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' LYS . 36.2 mtmt -59.95 -47.21 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' LYS . 45.5 mttm -33.68 -42.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -52.32 147.49 7.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -118.03 -35.8 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.49 165.97 47.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -42.82 3.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' A' ' 65' ' ' LEU . 6.1 mm100 -47.28 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.3 mp0 -39.14 -52.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.3 mt -53.24 -49.43 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.15 -61.09 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD11 ' NE2' ' A' ' 61' ' ' GLN . 11.2 mp -49.25 -50.74 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 62' ' ' GLN . 41.8 mttt -64.16 -43.4 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.89 64.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -63.59 -49.24 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.32 -62.17 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -51.63 -36.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CD2' HG21 ' A' ' 75' ' ' ILE . 15.5 t80 -55.82 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 41.8 mt-10 -63.46 -0.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 34.9 tttt -90.26 -58.51 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 4.8 m-85 -118.05 -47.33 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 71' ' ' TYR . 25.8 mm -40.46 -69.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.58 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 10.8 pt20 -57.39 173.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.5 m -101.85 -38.61 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.406 ' C ' HE21 ' A' ' 76' ' ' GLN . 31.2 t0 -70.48 17.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -95.97 154.55 38.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.42 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.612 2.208 . . . . 0.0 112.385 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 8.7 mmtp -110.92 17.95 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.88 127.05 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.08 175.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -79.87 102.22 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.8 mt -122.77 139.12 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.01 145.37 50.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -50.45 -63.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -41.8 -56.51 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.0 m -50.36 -46.43 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -64.02 -56.67 13.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.8 -46.89 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.6 t -55.73 -45.34 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ILE . 97.3 mt -68.35 -41.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -54.66 -43.83 72.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -85.4 -25.13 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.7 t -100.46 17.33 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.46 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -75.81 -10.39 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.583 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 23.1 p -102.4 -21.98 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.773 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.1 pt20 -118.02 32.62 0.18 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.2 Cg_endo -69.72 148.41 65.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.9 p -132.02 177.41 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.13 -27.04 66.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.13 17.73 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.9 t -95.2 -68.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.4 m-85 -44.56 -37.68 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' PHE . 2.3 m-20 -35.91 -41.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.34 -60.38 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.09 56.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -45.56 -48.59 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.6 t -50.44 -40.43 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -57.62 -59.85 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.18 -48.54 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.448 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 23.3 t80 -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' LEU . 37.6 mm-40 -71.67 -56.9 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 114' ' ' GLN . 7.5 mt -33.84 -44.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.451 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 36.7 mtm -78.35 -56.95 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 42.6 tt0 -45.11 -20.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.7 mm100 -76.98 -69.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' SER . 86.5 m-20 -98.02 -64.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' ASP . 58.8 m -32.02 -51.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.0 -68.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -66.9 -35.83 80.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 130' ' ' TYR . 32.6 t80 -60.15 -38.03 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.35 -40.76 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -78.9 -17.43 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 p -67.24 137.3 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.29 -48.14 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -38.39 -47.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CD1' ' CE2' ' A' ' 124' ' ' PHE . 55.2 t80 -75.74 -55.3 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 mt -39.3 -38.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.91 -46.55 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.5 mt -44.18 -49.42 9.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.9 ptp -84.48 -35.44 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 134' ' ' MET . 4.3 t -81.13 16.09 1.67 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.92 -153.27 6.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 m -55.94 -44.34 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.4 t -82.98 -55.01 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -101.29 123.04 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.394 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -124.38 110.76 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.11 -72.61 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -62.09 -47.94 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t 66.63 42.16 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.91 -164.4 25.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.437 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -126.34 123.79 24.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.19 32.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.58 -39.32 52.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.66 -34.58 46.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -62.21 -52.67 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.08 -33.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -80.1 -39.83 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 29.5 m0 -38.24 -54.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -40.24 -40.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' GLY . 24.0 mt-10 -34.46 -56.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -153.39 162.97 40.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 23' ' ' LEU . 25.4 t80 -62.21 -39.58 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -55.21 -49.77 71.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -46.34 -49.92 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.46 -61.32 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 19' ' ' PHE . 34.2 mt -51.18 -51.23 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.0 t -34.3 -44.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -89.1 146.76 24.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -63.88 -62.17 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -43.85 -59.76 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.8 -42.95 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.33 -43.68 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.316 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.56 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.61 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.37 -60.51 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.2 m -39.48 -46.94 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -53.02 -50.46 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -48.19 -40.98 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' GLU . 40.6 mt -71.0 -56.08 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HG2' ' CD ' ' A' ' 42' ' ' GLU . 45.0 mttt -38.34 -48.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -56.28 -39.27 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 72.4 mm-40 -93.52 14.2 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 54.03 32.08 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.407 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 m -118.03 17.84 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.7 pt-20 -70.52 -35.26 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 1.8 pm0 -40.95 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' GLU . 94.5 m-20 -68.79 -57.19 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.433 HD13 ' CE ' ' A' ' 116' ' ' MET . 10.4 tp -70.43 -31.57 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' N ' HG23 ' A' ' 45' ' ' ILE . 21.5 mt-10 -49.81 -42.66 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.547 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 60.9 t80 -75.54 -41.12 55.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.412 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 45.6 t90 -53.52 -41.93 66.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' CYS . 64.1 mt -65.45 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.12 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' ILE . 90.4 m -72.09 -68.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' C ' ' OE1' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -44.65 -30.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 10.6 t70 -91.31 -25.49 19.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' LYS . 5.0 ptpp? -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 mtpt -34.96 -36.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 11.9 t -51.94 149.42 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -111.71 -34.78 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.86 169.23 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -42.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.587 2.192 . . . . 0.0 112.367 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -68.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.9 tp-100 -49.21 -51.55 32.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -49.4 -42.55 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.04 -50.29 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.58 -62.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 60.6 mttt -49.2 -43.74 42.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.7 -53.38 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -64.2 -50.65 67.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 -58.96 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.0 mt -59.31 -39.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 75' ' ' ILE . 5.4 t80 -51.64 -69.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 27.3 mt-10 -62.3 -0.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 24.3 tttt -89.66 -57.84 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.8 m-85 -118.02 -39.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.574 HG23 ' CE2' ' A' ' 71' ' ' TYR . 45.9 mm -54.18 -69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 6.0 pt20 -51.91 148.13 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HG3' ' A' ' 82' ' ' GLU . 22.7 m -73.77 -37.27 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 25.1 t70 -74.59 17.93 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -88.52 142.8 31.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.262 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -108.55 17.93 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 1.6 tm-20 -47.16 118.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -100.33 176.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -76.99 101.98 6.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.1 mt -130.93 143.13 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.92 149.01 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -44.68 -59.28 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -40.22 -59.92 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.1 m -48.73 -51.36 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.83 -34.09 75.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' THR . 1.8 tp10 -74.46 -68.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -34.48 -47.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 84.3 mt -63.11 -43.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' GLU . 99.6 m -51.07 -43.81 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -87.05 -28.3 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -94.77 17.46 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.453 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -79.78 -12.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.659 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -106.17 -22.2 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.837 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.4 pt20 -118.03 26.82 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.709 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.837 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.4 Cg_endo -69.74 136.95 34.35 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.409 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 60.9 p -107.68 179.29 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 mt -57.22 -18.78 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.409 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 6.3 p80 -111.5 17.76 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -61.5 -54.43 43.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -79.12 10.74 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.66 -46.11 91.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -59.31 3.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.62 12.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -52.94 -43.16 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.4 t -60.18 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -43.71 -50.9 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -71.68 -40.6 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -46.26 -49.82 16.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -70.37 -38.52 74.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.53 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 7.8 mt -58.12 -25.56 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.433 ' CE ' HD13 ' A' ' 45' ' ' ILE . 63.7 mtm -96.28 -17.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -93.36 -7.23 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.53 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -69.46 -71.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.01 -37.92 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.7 m -48.27 -44.74 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.14 -52.66 38.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.0 p -54.61 -38.68 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -72.84 -43.79 62.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 38.4 t80 -53.33 -39.0 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.4 -33.89 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -101.02 16.48 25.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 p -89.98 162.44 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -78.99 -37.88 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.3 mt -56.17 -38.8 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -73.86 -47.28 39.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.09 -28.72 69.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.05 -57.34 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -39.89 -33.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.527 ' HE3' ' CE1' ' A' ' 130' ' ' TYR . 5.3 ptp -96.31 -36.36 10.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 134' ' ' MET . 5.2 t 52.41 46.37 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 138' ' ' SER . . . -87.55 -158.06 32.29 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.63 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.643 2.228 . . . . 0.0 112.409 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 136' ' ' GLY . 77.5 p -55.81 156.59 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.6 p -110.5 17.92 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -93.29 177.62 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -48.37 -47.19 37.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.73 -124.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -160.42 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -112.14 158.79 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.91 39.26 88.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 t -98.53 142.34 24.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.691 0.757 . . . . 0.0 110.891 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.92 19.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -80.2 -40.1 27.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -78.23 -45.47 22.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.562 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -52.82 -57.99 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 14' ' ' LYS . 7.5 p -41.89 -38.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 13' ' ' VAL . 33.9 mttm -75.0 -45.48 41.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.3 m0 -41.08 -47.85 3.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -49.07 -37.54 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' GLY . 38.8 mt-10 -34.97 -47.11 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -157.54 156.59 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.9 t80 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.8 -44.34 90.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -47.87 -44.1 29.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD13 ' CA ' ' A' ' 28' ' ' GLY . 7.3 tp -62.27 -61.51 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 48' ' ' TRP . 41.3 mt -39.26 -47.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -49.32 -42.42 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -77.37 135.3 38.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -65.08 -62.29 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.21 -45.18 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' CA ' HD13 ' A' ' 22' ' ' LEU . . . -56.82 -48.32 79.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.551 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.02 -58.57 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.28 -56.15 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.07 -41.08 59.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 74.8 t80 -63.13 -48.96 76.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m -54.1 -44.64 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 34' ' ' ARG . 29.8 mtt85 -51.83 -54.28 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.4 -41.91 14.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.86 -43.17 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.85 -46.75 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -57.2 -40.3 77.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -91.81 13.52 18.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 52.05 33.94 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -116.78 16.91 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.45 -40.48 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -41.18 -36.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -53.64 -54.68 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 46' ' ' GLU . 9.1 tp -72.6 -33.99 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 45' ' ' ILE . 12.9 mt-10 -46.98 -46.19 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' SG ' ' A' ' 51' ' ' CYS . 38.1 t80 -63.86 -49.48 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.518 ' CE2' HD13 ' A' ' 23' ' ' LEU . 42.9 t90 -42.2 -49.07 4.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.25 -42.39 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.38 -28.09 51.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 50.6 m -75.35 -68.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -43.63 -31.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.97 -34.91 20.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 105' ' ' PHE . 1.9 t80 -58.02 -39.25 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.83 -45.43 86.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -40.77 -34.51 0.39 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.7 m -53.95 166.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 54.7 pttt -143.28 124.89 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 63' ' ' ILE . . . 103.93 162.85 24.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -69.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -49.36 -58.57 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 59' ' ' GLY . 33.7 mt -45.18 -49.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -56.76 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -49.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -49.58 -46.25 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.83 -54.83 20.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.65 -54.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.87 -66.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.6 -41.55 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.5 ' CB ' HD13 ' A' ' 97' ' ' ILE . 1.1 t80 -58.11 -61.33 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 27.7 mt-10 -69.04 -0.1 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 22.5 tttt -96.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.5 m-85 -97.99 -63.45 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.497 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 35.7 mm -32.15 -73.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' CG ' ' HB3' ' A' ' 79' ' ' ALA . 5.2 pt20 -52.79 155.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.535 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -91.87 -33.12 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 17.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.539 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . . . -102.94 157.33 33.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -37.36 9.26 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -100.83 17.82 21.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.0 124.35 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -104.47 179.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.25 108.59 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -121.74 153.15 38.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.1 t70 -61.93 143.18 56.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.91 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 92' ' ' VAL . 77.9 t60 -52.48 -64.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.3 m -47.11 -41.22 16.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 16.4 tttt -63.3 -51.28 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.9 tp10 -65.16 -60.67 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 88' ' ' HIS . 96.6 t -34.56 -46.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.99 -52.65 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -45.68 -44.42 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -83.48 -34.43 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -88.27 18.02 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.5 HD13 ' CB ' ' A' ' 71' ' ' TYR . 11.2 tp -71.33 -10.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.633 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 t -103.61 -21.18 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.814 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.5 pt20 -118.1 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.66 132.35 23.29 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.3 p -109.39 178.85 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.19 -18.99 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -106.11 17.37 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -75.77 -55.03 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 54' ' ' PHE . 55.2 m-85 -73.79 7.11 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.48 -46.67 63.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.2 -46.73 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.13 94.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -55.54 -40.26 71.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 t -63.83 -38.41 91.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.424 ' CD ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.07 -54.72 43.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' A' ' 47' ' ' PHE . 95.0 t -61.01 -47.19 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -42.61 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.25 -54.21 32.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.424 HD13 ' CD ' ' A' ' 111' ' ' ARG . 13.3 mt -38.69 -42.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.19 -65.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -39.41 -33.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.93 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 -37.73 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.1 m -47.7 -53.23 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.797 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 21.6 t80 -65.91 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -41.02 -46.97 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.66 -48.87 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 41.4 t80 -49.24 -28.47 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.492 HD13 ' CZ ' ' A' ' 121' ' ' TYR . 93.7 mt -71.65 -30.31 65.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -107.12 16.81 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' ASP . 64.1 p -90.84 121.57 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.2 m-20 -35.37 -47.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.52 -54.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 5.8 t80 -54.64 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.81 -33.77 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -70.09 -51.62 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 134' ' ' MET . 0.5 OUTLIER -40.52 -39.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.48 ' N ' ' HG ' ' A' ' 133' ' ' LEU . 5.2 ptp -91.98 -38.24 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 134' ' ' MET . 3.7 m -68.79 -2.4 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.76 144.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 87.72 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.362 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 96.8 p -79.59 120.15 23.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 t -126.21 161.14 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.513 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -54.91 125.59 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -157.64 116.39 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.64 117.99 10.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -67.85 167.57 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -153.63 114.84 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.85 60.67 0.53 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -62.91 141.17 97.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.717 0.77 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -5.19 15.63 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 61.4 tt0 -90.89 -44.76 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 25' ' ' HIS . 18.2 pt-20 -70.67 -43.27 69.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -60.69 -55.03 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 6.5 p -45.68 -36.28 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 13' ' ' VAL . 40.2 mttm -77.1 -49.22 15.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.0 m0 -36.76 -52.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.92 -41.54 6.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLY . 28.2 mt-10 -32.15 -59.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.1 p -151.31 156.68 41.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 23' ' ' LEU . 26.9 t80 -56.74 -39.47 74.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -54.28 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -39.54 -53.49 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -48.58 -50.16 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 19' ' ' PHE . 30.7 mt -61.9 -49.84 74.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -40.28 -43.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' NE2' ' OE1' ' A' ' 11' ' ' GLU . 3.0 t-80 -77.35 140.55 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -64.88 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.32 -51.45 34.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.64 -55.56 22.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.454 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.57 -53.29 53.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.767 0.317 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -48.07 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.98 35.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 40.9 t80 -55.0 -45.8 75.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -55.66 -50.91 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 34' ' ' ARG . 10.3 mtp180 -43.83 -51.65 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 10.5 t80 -50.05 -41.95 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 34.8 mt -74.53 -43.94 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -46.1 -41.83 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -68.3 -36.29 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -92.31 14.49 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 51.2 34.57 11.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -109.25 -13.99 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pp20? -41.69 -45.89 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -33.88 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 76.3 m-20 -66.33 -56.84 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 46' ' ' GLU . 8.7 tp -62.26 -29.41 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 45' ' ' ILE . 7.4 mt-10 -54.0 -43.49 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.535 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 24.0 t80 -70.54 -45.19 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.476 ' CZ2' HD11 ' A' ' 23' ' ' LEU . 75.5 t90 -50.38 -46.65 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.61 -49.41 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.85 -41.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' C ' ' HE2' ' A' ' 55' ' ' LYS . 72.0 m -61.51 -59.17 5.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -42.03 -39.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.61 -37.22 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.13 -44.14 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -67.18 -40.87 86.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -43.9 -30.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 58' ' ' LYS . 13.8 t -52.02 151.93 3.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' HG ' ' A' ' 57' ' ' SER . 38.6 mttm -117.87 -37.3 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.45 163.37 38.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.67 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 4.1 mm-40 -41.02 -70.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.509 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -34.52 -45.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.32 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.0 m-70 -68.62 -41.13 79.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 61' ' ' GLN . 10.9 mp -67.81 -59.15 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.6 mtmp? -51.3 -48.09 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.89 -53.6 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -58.73 -47.52 84.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -59.97 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.28 -36.62 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.595 ' CE2' ' CG2' ' A' ' 75' ' ' ILE . 7.7 t80 -57.36 -65.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 21.9 mt-10 -62.69 -0.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 19.7 tttp -92.77 -54.43 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.5 m-85 -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.595 ' CG2' ' CE2' ' A' ' 71' ' ' TYR . 45.3 mm -54.79 -69.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.509 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.07 145.2 17.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 79' ' ' ALA . 23.8 m -70.78 -39.09 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.27 18.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 77' ' ' THR . . . -92.95 143.1 26.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -25.3 28.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.269 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -108.07 17.96 21.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -49.55 110.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 27.7 m -94.74 176.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -84.42 108.95 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -124.93 144.69 50.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.06 161.6 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -61.37 -54.03 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -51.34 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.1 m -46.3 -58.91 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -47.94 -43.52 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' VAL . 5.1 tp10 -67.64 -63.72 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.4 t -36.08 -44.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' ILE . 87.9 mt -68.75 -45.74 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -51.46 -44.73 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -85.55 -31.41 22.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 22.5 m -93.46 18.02 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -74.15 -10.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.631 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.8 t -105.98 -17.76 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 20.6 pt20 -117.98 29.39 0.13 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.8 Cg_endo -69.72 154.66 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.418 ' H ' ' CB ' ' A' ' 104' ' ' SER . 61.5 p -136.13 177.93 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.13 -24.85 67.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -104.88 17.96 23.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.418 ' CB ' ' H ' ' A' ' 101' ' ' THR . 4.6 m -85.46 -69.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.3 m-85 -43.21 -34.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' PHE . 24.1 t70 -34.96 -46.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.11 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -51.23 -42.8 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 t -49.49 -49.81 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -57.27 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.4 t -58.57 -43.38 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.27 -46.53 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -72.81 -48.46 37.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.34 -40.39 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 118' ' ' GLN . 70.0 mtm -76.54 -60.7 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 tt0 -45.65 -20.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 116' ' ' MET . 7.9 mm-40 -61.77 -69.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.9 -37.87 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.407 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 71.5 m -49.88 -50.3 46.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 37.4 t80 -66.27 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -42.49 -47.74 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 mtt180 -63.45 -46.67 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 66.6 t80 -48.32 -40.8 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 74.8 mt -62.34 -35.45 79.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -97.63 14.88 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.3 p -98.2 132.32 43.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -46.1 52.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.8 mt -45.6 -44.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.4 t80 -69.97 -46.08 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.96 -26.14 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 133' ' ' LEU . 26.3 t70 -73.92 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -37.58 -42.21 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 135' ' ' SER . 4.3 ptp -88.51 -36.18 16.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 134' ' ' MET . 6.5 t 52.21 43.8 30.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.8 147.21 50.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -51.89 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.2 p -67.49 -42.83 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 m -45.79 -43.26 13.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -73.27 158.97 34.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.863 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -133.09 119.46 20.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 46.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -114.17 152.64 30.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -105.23 -37.97 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.54 -171.29 12.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -110.98 109.42 57.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -35.83 11.92 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.655 2.236 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 11' ' ' GLU . 2.6 pm0 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 48.1 mt-10 -83.82 -40.51 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.16 -30.96 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -76.8 -39.19 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.8 m0 -39.41 -59.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.08 -35.62 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 16' ' ' GLY . 68.5 mt-10 -32.12 -59.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.411 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . 69.5 m -157.13 156.92 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 8.4 t80 -55.45 -40.05 71.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -52.63 -60.81 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' CD ' ' HB2' ' A' ' 18' ' ' SER . 6.8 mptt -40.43 -53.99 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 46.7 mt -58.31 -47.02 85.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 t -43.0 -44.02 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 5.0 t-80 -88.77 140.88 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 2.9 tpm_? -71.14 -57.02 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 5.6 m-20 -41.16 -58.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.8 28.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 ' CD1' HD22 ' A' ' 23' ' ' LEU . 67.7 tp -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -48.96 -61.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.82 -45.5 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.02 -49.53 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 m -51.87 -44.22 63.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 34' ' ' ARG . 5.7 mtp85 -52.66 -48.51 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CE1' ' HD3' ' A' ' 123' ' ' ARG . 6.4 t80 -49.52 -43.63 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.13 -46.43 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.81 -47.9 8.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -95.55 12.43 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 52.22 32.03 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.32 16.7 14.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -60.6 -40.62 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -36.5 -34.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.487 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 19.7 m-20 -57.67 -49.79 75.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 46' ' ' GLU . 8.1 tp -75.41 -30.66 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' N ' HG21 ' A' ' 45' ' ' ILE . 5.0 mm-40 -50.79 -49.97 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 77.0 t80 -62.33 -41.78 98.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.53 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 19.0 t90 -56.78 -38.07 71.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.49 -55.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . . . -47.37 -30.31 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' PHE . 36.7 m -69.32 -64.44 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -26.16 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.26 -18.27 20.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -70.14 -48.73 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -70.12 -27.88 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 7.0 mtpm? -48.49 -29.02 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -53.67 166.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 9.1 ptpp? -117.79 -36.84 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -101.82 167.93 18.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.285 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -39.24 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -44.25 -47.99 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.569 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 62.6 mt -53.09 -52.91 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -53.65 -53.04 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -49.6 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -52.83 -51.06 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 63' ' ' ILE . . . -48.07 -58.07 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -51.29 -58.52 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.28 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 74' ' ' PHE . 36.9 mt -48.29 -41.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 1.8 t80 -58.01 -62.36 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 54.5 mt-10 -66.15 -3.6 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 9.7 ttpt -93.11 -65.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.598 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 1.7 m-85 -97.92 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 47.1 mm -35.23 -68.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 4.1 pt20 -53.58 142.58 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -81.64 171.11 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 52.35 32.1 10.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 73' ' ' LYS . . . -105.04 175.96 1.94 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.695 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.61 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -37.3 9.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -116.29 17.99 15.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 8.8 pt-20 -52.01 130.01 28.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.5 m -122.89 171.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -75.94 107.58 8.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.4 mt -129.81 143.62 50.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -60.45 149.52 33.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.35 -60.93 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -45.07 -53.16 8.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -54.91 -45.44 74.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -62.01 -52.75 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.44 -49.87 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.16 -47.47 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.57 -41.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 m -57.45 -43.78 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -86.64 -27.1 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 t -97.11 18.02 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.42 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.7 tp -73.91 -5.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.639 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 24.7 p -107.3 -20.86 13.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 77.6 mt-30 -118.01 28.37 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.76 122.43 9.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.584 2.189 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -97.67 178.52 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 63' ' ' ILE . 78.5 mt -63.75 -30.24 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -97.33 18.02 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -69.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 106' ' ' ASP . 20.2 m-85 -50.28 -34.58 23.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.2 t0 -32.45 -45.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.91 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.7 90.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -50.6 -41.03 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -63.2 -45.5 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.32 -48.58 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -40.68 -42.52 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.94 -43.88 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.5 mt -48.79 -45.05 39.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 120' ' ' SER . 57.4 mtm -73.01 -52.33 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 121' ' ' TYR . 16.2 tp10 -48.41 -17.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 116' ' ' MET . 27.7 mt-30 -63.48 -69.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.89 -38.0 3.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 116' ' ' MET . 2.0 m -49.32 -39.77 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.525 ' CD2' ' OE1' ' A' ' 117' ' ' GLU . 26.2 t80 -74.33 -65.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.9 p -44.55 -43.48 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -65.45 -48.0 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 53.0 t80 -47.65 -50.05 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.06 -24.96 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -100.88 -22.36 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 p -56.51 131.32 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -51.94 -36.64 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.4 mt -52.27 -41.02 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.584 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -73.8 -62.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.6 -27.43 26.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.79 -61.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -42.2 -36.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.515 ' HE1' ' CZ ' ' A' ' 130' ' ' TYR . 3.5 ptp -92.88 -35.67 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.8 p 50.93 40.03 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.59 145.72 31.69 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.396 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.2 p -82.89 -62.11 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t -60.6 125.46 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -119.87 165.09 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -104.46 117.38 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.98 -51.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -54.31 -61.72 2.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -60.5 125.26 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.15 -159.8 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -126.6 147.54 61.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.72 0.772 . . . . 0.0 110.78 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -21.21 33.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -78.1 -33.47 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 71.8 mt-10 -77.9 -30.16 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -75.02 -49.62 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.12 -33.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.65 -43.78 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' N ' ' A' ' 28' ' ' GLY . 43.4 m0 -47.31 -41.76 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.53 -29.34 11.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -44.72 -64.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -144.37 173.0 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -74.92 -36.78 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.62 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -55.39 -42.03 73.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 15' ' ' TRP . 12.5 tp -59.92 -55.96 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.66 -53.57 56.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -39.57 -40.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 11' ' ' GLU . 11.2 t-80 -82.64 148.31 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -77.81 -59.08 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -44.75 -54.03 6.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' N ' ' CH2' ' A' ' 15' ' ' TRP . . . -58.63 -50.76 63.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 tp -47.73 -50.15 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.86 -58.79 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.9 -50.45 46.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 34.3 t80 -54.01 -55.41 27.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.3 m -44.42 -48.08 9.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' HD12 ' A' ' 129' ' ' ILE . 41.2 mtt180 -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 19.0 t80 -46.84 -40.62 14.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.569 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 mt -71.88 -45.74 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -44.89 -47.81 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -54.72 -34.51 62.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.53 11.29 38.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 52.28 35.24 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 -4.82 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -40.56 -43.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 10.7 pm0 -34.21 -34.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 51.9 m-20 -57.78 -57.73 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 46' ' ' GLU . 9.0 tp -66.05 -27.36 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' N ' HG21 ' A' ' 45' ' ' ILE . 5.8 mt-10 -57.52 -42.62 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 52.7 t80 -70.74 -40.61 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -56.02 -42.37 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.8 mt -69.31 -47.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -41.96 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 47.6 m -56.43 -53.65 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -51.95 -38.46 56.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.45 -22.42 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' CYS . 11.7 t80 -62.83 -46.31 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -61.79 -45.36 94.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' LYS . 29.1 mtpt -33.2 -34.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.7 t -52.1 145.6 10.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -113.81 -37.79 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.77 169.64 30.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -44.15 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.15 -45.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.24 -51.65 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -53.52 -53.88 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -55.83 -53.92 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -54.36 -48.99 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.81 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -66.55 -55.49 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.465 HG21 ' CE1' ' A' ' 74' ' ' PHE . 19.5 mt -56.37 -37.91 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.589 ' CE2' HG23 ' A' ' 75' ' ' ILE . 6.1 t80 -55.93 -61.5 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.66 -4.06 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 15.6 tttp -91.72 -68.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 81' ' ' LYS . 1.6 m-85 -98.34 -61.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 71' ' ' TYR . 38.1 mm -35.83 -67.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -53.82 138.67 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 82' ' ' GLU . 1.3 m -77.15 173.31 12.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.49 31.94 6.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 73' ' ' LYS . . . -104.49 168.94 7.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 79' ' ' ALA . 53.2 Cg_endo -69.87 -27.14 26.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 29.9 mmtt -118.03 18.0 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 77' ' ' THR . 8.8 tm-20 -52.13 117.55 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' O ' ' OE2' ' A' ' 82' ' ' GLU . 28.8 m -109.85 173.78 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -91.61 102.03 14.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.96 151.11 36.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.39 144.94 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.51 -50.21 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -61.39 -64.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -46.62 -42.79 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -64.06 -40.33 96.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 94' ' ' THR . 10.0 tt0 -75.16 -62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.5 p -38.25 -40.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.452 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -69.14 -37.8 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 91' ' ' GLU . 94.6 m -63.56 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -86.15 -21.26 27.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.1 m -107.29 18.04 22.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -70.62 -7.23 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.635 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 31.3 p -104.76 -20.93 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.818 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 15.3 mm-40 -118.06 29.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 p -95.86 174.42 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.64 -29.95 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -95.91 18.11 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 t -79.02 -70.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 13.2 m-85 -51.05 -34.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 32.2 t70 -35.33 -43.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.54 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.84 -48.7 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -46.36 -43.25 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.3 t -59.45 -42.49 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.463 ' NE ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -57.89 -62.13 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.9 t -54.93 -43.32 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -49.62 -48.25 49.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 28.0 mt-30 -64.08 -37.49 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 9.2 mt -65.87 -27.09 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 120' ' ' SER . 52.7 mtm -93.76 -12.65 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 6.8 tm-20 -95.88 -17.11 21.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.566 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.2 OUTLIER -57.89 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 122' ' ' THR . 0.3 OUTLIER -118.02 -35.92 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 116' ' ' MET . 13.1 t -52.81 -32.99 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -71.05 -66.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.512 ' HA ' ' CD1' ' A' ' 125' ' ' LEU . 3.6 t -56.22 -33.73 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -62.28 -52.03 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 62.9 t80 -45.07 -37.03 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 122' ' ' THR . 11.4 mt -57.75 -43.86 85.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -96.4 17.48 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 p -89.06 138.17 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -45.15 -46.87 12.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 71.0 mt -50.86 -56.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 130' ' ' TYR . 2.2 t80 -50.91 -43.9 59.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.81 -32.66 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -56.67 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 134' ' ' MET . 0.8 OUTLIER -41.44 -39.71 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.1 ptp -89.0 -34.95 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 134' ' ' MET . 7.3 t 53.89 44.15 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -140.85 137.03 7.95 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 132.73 54.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.5 m -60.17 -48.73 80.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.6 t -36.25 -48.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -68.63 136.24 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.44 -88.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -89.66 153.34 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -88.79 -45.37 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 135.46 3.58 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -124.73 143.36 43.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.716 0.769 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -8.37 23.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 9.6 tp10 -77.11 -33.97 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.51 -50.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . -49.75 -35.32 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.1 p -57.97 -36.02 54.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLU . 27.2 mtmt -79.62 -42.69 24.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.2 m0 -36.05 -46.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.71 -42.3 77.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mt-10 -33.51 -63.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.8 p -135.42 151.46 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.85 -34.87 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.36 59.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -40.18 -59.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -41.82 -60.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -53.0 -44.19 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -47.08 -41.78 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.86 132.24 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -59.4 -57.44 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -41.13 -51.09 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.49 -48.82 79.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.17 -49.94 70.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.768 0.318 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.87 -55.91 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.11 80.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 36' ' ' LEU . 68.3 t80 -54.29 -49.81 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -56.01 -52.44 64.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -45.31 -52.3 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 123' ' ' ARG . 4.5 t80 -49.44 -42.78 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 45' ' ' ILE . 19.0 mt -72.8 -42.85 63.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -44.6 -48.46 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -59.91 -36.42 76.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -89.88 8.94 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 52.79 33.7 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -112.98 -7.2 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pm0 -43.95 -41.22 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -35.65 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.2 m-20 -66.26 -58.28 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 46' ' ' GLU . 6.9 tp -65.4 -40.46 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' N ' HG21 ' A' ' 45' ' ' ILE . 6.2 mt-10 -43.51 -48.08 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.571 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 71.1 t80 -63.44 -44.1 95.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.407 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 17.7 t90 -50.05 -40.17 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.86 -55.45 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.88 -43.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.5 m -58.88 -49.34 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 61.3 mm-40 -50.71 -50.34 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.02 -28.78 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 5.5 t80 -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -73.23 -40.58 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -37.58 -33.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -52.33 150.7 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -116.9 -37.8 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.7 165.94 31.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -38.34 -68.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -39.34 -65.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 71.5 mt -35.91 -55.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -53.32 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mp -49.64 -59.31 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -51.45 -42.71 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.82 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -64.41 -58.44 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.28 -54.97 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.66 -37.49 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.532 ' CD2' HG21 ' A' ' 75' ' ' ILE . 3.9 t80 -58.04 -60.41 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -64.84 -3.69 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttp -94.06 -58.56 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 15.0 m-85 -108.77 -62.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.532 HG21 ' CD2' ' A' ' 71' ' ' TYR . 46.3 mm -32.47 -73.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' CG ' ' HB1' ' A' ' 79' ' ' ALA . 7.3 pt20 -52.81 165.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -98.72 -27.75 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.96 17.95 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -102.87 154.71 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.92 -32.78 17.24 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 22.0 mmtt -103.44 18.06 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.05 128.44 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' CG2' HH22 ' A' ' 111' ' ' ARG . 32.7 m -114.41 157.47 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.571 ' O ' ' NH2' ' A' ' 111' ' ' ARG . 4.4 m-20 -77.95 102.18 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 HD22 ' NH2' ' A' ' 111' ' ' ARG . 15.5 mt -102.99 140.62 37.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' PHE . 1.4 m-20 -52.07 135.24 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -32.48 -51.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -68.23 -57.45 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.8 m -45.52 -35.62 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.61 -49.56 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' THR . 19.4 tt0 -63.25 -59.4 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -40.0 -47.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.57 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 98.1 mt -66.62 -36.6 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLU . 30.0 m -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.196 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -86.23 -16.18 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -109.75 17.93 20.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.433 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -77.0 -7.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.648 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.1 p -106.28 -23.61 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.829 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 7.4 mm100 -118.09 28.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.829 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.74 126.14 12.97 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.401 ' N ' ' HB2' ' A' ' 104' ' ' SER . 60.6 p -97.58 178.27 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.6 -23.53 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -104.72 16.7 25.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.401 ' HB2' ' N ' ' A' ' 101' ' ' THR . 1.4 t -69.03 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' ASP . 29.4 m-85 -51.13 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 105' ' ' PHE . 3.1 t70 -35.66 -46.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -56.06 27.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.92 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -48.31 -45.53 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -59.1 -24.61 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.641 ' HD2' ' C ' ' A' ' 111' ' ' ARG . 1.9 tmm_? -73.61 -61.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.518 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 26.2 t -56.4 -43.08 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -44.86 -39.35 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 115' ' ' LEU . 52.6 mt-30 -75.41 -63.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 114' ' ' GLN . 6.2 mt -34.09 -38.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' GLN . 78.8 mtm -74.72 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 117' ' ' GLU . 6.4 tm-20 -42.38 -22.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' MET . 17.6 mt-30 -59.1 -70.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -37.69 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 116' ' ' MET . 12.2 m -46.9 -46.71 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.546 ' CE1' HD21 ' A' ' 125' ' ' LEU . 19.5 t80 -69.23 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.4 p -44.02 -38.39 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 12.8 ttm180 -74.65 -37.2 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 73.4 t80 -62.74 -40.04 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.546 HD21 ' CE1' ' A' ' 121' ' ' TYR . 68.9 mt -59.7 -25.22 64.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -112.85 15.31 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 p -88.18 124.12 33.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -40.15 -41.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.2 mt -54.46 -54.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -60.57 -42.8 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.08 -28.14 66.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -76.91 -57.69 3.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.421 ' C ' HD11 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -41.25 -37.12 0.89 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.524 ' HE1' ' CE1' ' A' ' 130' ' ' TYR . 3.7 ptp -89.23 -32.72 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 134' ' ' MET . 21.5 p 54.48 40.55 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.92 162.18 51.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 166.56 27.11 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.704 2.269 . . . . 0.0 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 t -76.1 122.21 23.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 m -91.42 -57.1 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.69 -38.27 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -74.93 -42.1 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.498 ' CZ3' ' HA2' ' A' ' 28' ' ' GLY . 39.4 m0 -45.21 -39.77 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -55.26 -33.68 58.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.1 mm-40 -35.74 -48.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -162.93 157.13 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 24.0 t80 -57.29 -47.65 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -53.08 -51.24 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -43.87 -48.41 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.2 tp -57.52 -51.91 67.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 30.6 mt -57.93 -50.2 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -37.24 -43.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -92.16 140.11 29.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -63.83 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -43.92 -57.46 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.94 -55.53 17.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.411 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 23' ' ' LEU . 58.6 tp -54.12 -58.84 5.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.13 60.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.708 ' HB2' HD21 ' A' ' 22' ' ' LEU . 16.6 t80 -55.21 -47.47 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.545 HG23 HG21 ' A' ' 45' ' ' ILE . 87.5 m -59.38 -47.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.204 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -45.16 -50.3 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 123' ' ' ARG . 4.1 t80 -51.87 -44.63 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.7 mt -69.27 -43.29 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 54.2 mttt -48.6 -46.1 38.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -61.96 -34.98 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -93.76 13.69 21.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 52.16 34.73 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 -13.99 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' ILE . 3.1 pm0 -40.65 -34.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 16.0 pt-20 -39.98 -38.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -59.94 -57.15 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.0 tp -61.88 -31.93 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.41 -42.11 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HD2' HG21 ' A' ' 112' ' ' VAL . 40.7 t80 -69.98 -45.68 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.628 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 29.3 t90 -52.39 -39.69 61.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' CYS . 15.4 mt -66.86 -66.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.0 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ILE . 94.5 m -68.3 -67.12 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 1.1 pp20? -42.77 -32.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -83.98 -36.22 23.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 t80 -53.22 -41.82 65.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 52' ' ' GLU . 7.6 mtmp? -61.25 -30.79 70.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -79.7 14.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -71.3 157.03 38.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -121.31 123.71 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.66 171.5 30.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 Cg_endo -69.75 -36.06 11.51 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 65' ' ' LEU . 6.6 tp60 -52.08 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -47.5 -46.88 27.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.487 HG23 ' CE1' ' A' ' 54' ' ' PHE . 31.3 mt -58.73 -44.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.47 -52.3 53.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.8 mp -54.92 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -52.85 -43.0 65.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -56.74 -57.14 13.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -53.28 -49.91 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -57.76 -66.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.437 HG23 ' CD1' ' A' ' 74' ' ' PHE . 57.5 mt -50.35 -38.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.498 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -59.63 -64.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.597 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 36.8 mt-10 -68.14 0.67 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 21.0 tttp -97.06 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 7.6 m-85 -98.03 -62.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 40.4 mm -31.93 -68.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.672 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 pt20 -56.81 152.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 79' ' ' ALA . 6.8 m -91.03 -31.98 16.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 15.9 t0 -73.17 17.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -104.79 161.48 22.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.74 -46.06 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -90.2 17.99 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 118.21 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.2 m -101.04 171.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -77.1 104.45 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.548 ' HG ' HG23 ' A' ' 83' ' ' VAL . 69.0 mt -126.59 160.92 29.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.22 143.62 47.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.91 -57.2 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -52.15 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.1 m -42.54 -40.54 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.37 -44.73 62.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.76 -62.11 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.8 -47.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.563 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 95.1 mt -65.02 -43.73 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.8 m -54.03 -41.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -85.52 -33.83 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.8 t -91.89 17.3 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.3 tp -66.86 -12.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.645 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.7 t -104.49 -15.99 15.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.797 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 80.0 mt-30 -117.99 30.41 0.15 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.87 148.83 65.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.6 p -134.2 177.75 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.18 -29.6 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -98.42 17.45 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -93.59 -63.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 8.1 m-85 -52.3 -38.08 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 17.9 t70 -32.79 -42.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.91 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.86 -48.23 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -49.56 -41.17 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -54.91 -56.29 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 47' ' ' PHE . 98.0 t -65.82 -53.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -39.18 -40.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -75.91 -53.44 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.2 mt -37.82 -49.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.468 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 35.6 mtm -69.42 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.2 tm-20 -43.37 -26.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -74.13 -67.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 120' ' ' SER . 72.8 m-20 -98.02 -66.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ASP . 55.9 m -31.95 -60.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -51.61 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.9 p -46.22 -58.11 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 23.2 tpp85 -53.98 -40.67 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 25.5 t80 -61.36 -40.22 93.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.13 -36.19 63.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -95.5 17.91 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.4 p -91.33 144.12 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.61 -52.83 35.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -43.8 -48.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 65.1 t80 -66.2 -66.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' TYR . 28.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.6 -40.09 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -72.58 -43.06 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.2 m0 -44.35 -49.4 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.91 -38.65 65.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLY . 16.0 mm-40 -37.8 -46.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 t -160.83 162.36 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 29.7 t80 -62.37 -40.51 96.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.45 -42.98 99.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -52.67 -45.85 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 7.3 tp -60.96 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 19' ' ' PHE . 38.0 mt -57.81 -49.34 76.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -37.88 -48.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CB ' ' HE1' ' A' ' 15' ' ' TRP . 43.1 t-80 -87.13 136.62 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -64.21 -59.29 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.92 -54.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.98 -42.71 99.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.56 -48.85 80.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -49.98 -56.67 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.18 -42.18 50.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 41.6 t80 -58.15 -62.14 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 m -43.13 -45.07 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -50.43 -60.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.24 -45.46 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 36.2 mt -67.8 -46.69 71.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -44.36 -49.19 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -55.89 -39.6 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.64 13.26 22.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 52.44 37.01 21.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -116.53 13.2 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.2 pm0 -61.12 -40.56 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' HG12 ' A' ' 83' ' ' VAL . 17.0 pt-20 -39.51 -41.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -52.33 -53.24 46.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -71.63 -35.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.32 -42.98 43.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.7 ' CD2' HG21 ' A' ' 112' ' ' VAL . 18.3 t80 -66.24 -41.59 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -57.52 -42.2 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.06 -53.1 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.53 -43.79 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 93.4 m -51.67 -53.46 38.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -52.01 -48.16 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.8 -39.5 94.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 45.4 t80 -59.18 -42.45 90.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HA ' HD22 ' A' ' 102' ' ' LEU . 47.9 mtmt -64.46 -44.73 90.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -38.87 -37.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t -52.43 148.92 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -113.89 -38.05 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.63 166.0 30.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.84 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.7 Cg_endo -69.96 -35.45 12.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -44.28 -67.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -48.44 -49.33 35.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 60' ' ' PRO . 46.4 mt -48.71 -41.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -70.51 -58.42 3.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.8 mp -54.45 -60.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -52.13 -44.81 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -46.02 -56.5 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.23 -61.74 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.18 -58.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.482 HG23 ' HD2' ' A' ' 74' ' ' PHE . 45.1 mt -63.29 -40.97 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -57.16 -60.62 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 62.5 mt-10 -66.19 -1.52 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttm -96.41 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.4 m-85 -98.08 -62.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 49.9 mm -32.03 -72.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.4 pt20 -54.47 158.95 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.49 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.5 m -94.52 -31.95 13.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 14.6 t0 -72.15 18.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.88 156.59 35.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.4 Cg_endo -69.76 -32.21 19.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.56 18.03 22.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.03 119.71 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.3 m -104.44 175.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.665 ' OD1' HD13 ' A' ' 115' ' ' LEU . 1.9 p30 -77.72 107.0 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 75' ' ' ILE . 41.8 mt -129.3 154.13 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.31 147.58 53.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -55.89 -53.44 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -56.17 -43.42 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.084 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -69.89 -43.56 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.49 -58.9 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -42.85 -47.34 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.222 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.569 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -64.35 -42.32 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.5 m -52.51 -41.81 63.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.38 -35.18 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -91.13 18.04 7.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.454 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -69.29 -9.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.696 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.1 t -106.64 -15.5 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.835 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 mm100 -118.03 27.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.835 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.7 Cg_endo -69.74 149.41 67.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -133.86 177.86 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 55' ' ' LYS . 78.9 mt -66.82 -27.08 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -100.75 17.96 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.1 m -89.77 -66.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 106' ' ' ASP . 9.2 m-85 -47.82 -37.09 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.8 t70 -32.37 -45.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.85 -56.37 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.77 93.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -54.0 -43.23 69.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -60.15 -38.51 83.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -57.7 -60.57 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.7 HG21 ' CD2' ' A' ' 47' ' ' PHE . 83.9 t -62.31 -51.85 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -40.9 -51.04 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 115' ' ' LEU . 26.4 mm100 -66.16 -56.79 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 ' OD1' ' A' ' 84' ' ' ASN . 5.7 mt -35.21 -50.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.498 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 57.9 mtm -66.57 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 32.8 tt0 -39.95 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' MET . 53.5 mm-40 -69.88 -66.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' SER . 2.1 m-20 -98.0 -63.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 3.0 m -32.04 -56.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.456 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 33.9 t80 -57.11 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.7 p -42.12 -45.34 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.11 -34.13 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.06 -43.55 82.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.62 -36.48 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.71 15.85 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.4 p -90.31 129.83 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.39 -40.59 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.6 -51.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.19 -62.07 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.725 HG13 ' HD3' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -51.98 -38.4 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.725 ' HD3' HG13 ' A' ' 13' ' ' VAL . 4.4 mmtp -77.04 -45.48 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CD2' HD12 ' A' ' 22' ' ' LEU . 52.3 m0 -42.84 -41.6 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -57.19 -35.58 71.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLY . 6.2 mm-40 -34.12 -59.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -157.65 148.0 20.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 33.4 t80 -42.41 -49.47 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -56.1 -43.15 77.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -42.05 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 15' ' ' TRP . 8.3 tp -62.81 -59.17 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 19' ' ' PHE . 19.7 mt -48.09 -50.31 28.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.1 t -37.32 -42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 19.7 t-80 -84.12 139.52 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -70.53 -53.7 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 m-20 -51.78 -49.95 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.503 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -63.51 -45.39 94.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.489 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.9 -45.41 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.15 -47.02 79.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.51 92.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 36' ' ' LEU . 85.6 t80 -53.51 -60.04 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.534 HG22 ' CG ' ' A' ' 37' ' ' LYS . 92.4 m -41.03 -53.86 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.181 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' PHE . 95.6 mtt180 -39.82 -64.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' HD12 ' A' ' 129' ' ' ILE . 17.2 t80 -37.5 -43.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mt -74.27 -46.85 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.534 ' CG ' HG22 ' A' ' 33' ' ' THR . 20.6 mtpt -47.06 -45.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -59.33 -37.77 78.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -95.13 14.24 22.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 52.44 34.28 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -109.17 -9.72 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.46 -43.18 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.533 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.3 pt-20 -33.92 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.549 ' HA ' HG11 ' A' ' 83' ' ' VAL . 10.6 m-20 -63.02 -58.64 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -65.48 -37.93 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -47.69 -43.46 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 75' ' ' ILE . 82.1 t80 -68.93 -44.8 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 43.6 t90 -51.2 -47.35 62.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.62 -53.71 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.82 -41.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.56 -56.17 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.3 mm-40 -46.83 -45.48 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.03 -26.31 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 7.7 t80 -63.22 -48.07 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 1.4 ptpm? -64.26 -38.69 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 54.4 mttp -38.15 -34.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.22 154.34 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -117.36 -37.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.59 163.84 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.592 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.82 -51.24 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.545 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tp-100 -39.01 -65.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -45.97 -44.33 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 60' ' ' PRO . 61.7 mt -60.34 -51.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.12 -40.27 80.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.7 mp -69.27 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.7 mtmp? -53.36 -41.6 65.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.41 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.77 -51.4 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.5 mt -52.19 -41.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.45 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 3.9 t80 -50.27 -68.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 37.5 mt-10 -63.74 -4.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 39.9 tttt -82.5 -67.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -110.52 -49.04 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 46.9 mm -43.08 -66.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 4.4 pt20 -58.94 144.63 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -78.3 177.97 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 77' ' ' THR . 5.6 m-20 47.39 32.09 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.856 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.57 169.55 7.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.856 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.75 -31.54 20.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.609 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.4 mmtp -117.99 17.4 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -51.98 134.18 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' HG ' ' A' ' 85' ' ' LEU . 35.4 m -124.19 165.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -70.76 103.33 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 83' ' ' VAL . 85.8 mt -130.81 149.0 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.8 151.53 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -56.62 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.39 -41.3 13.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -63.04 -38.83 92.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.03 -39.71 60.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.79 -58.95 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.2 p -43.66 -46.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.556 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 93.1 mt -67.4 -42.41 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.6 m -55.98 -38.27 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -87.92 -33.01 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -91.06 17.96 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.449 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -71.81 -7.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.676 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.2 t -106.26 -20.79 13.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.822 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 25.4 pt20 -117.98 28.85 0.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.86 140.31 41.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.1 p -113.56 178.34 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 55' ' ' LYS . 86.6 mt -58.25 -18.47 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.22 18.04 20.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 t -61.45 -51.34 69.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -81.37 15.37 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.46 -51.87 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.81 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -47.0 -42.66 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -59.27 -39.82 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.424 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -61.33 -55.53 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 115' ' ' LEU . 87.6 t -60.01 -55.84 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t80 -36.32 -45.73 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' LEU . 17.3 mm-40 -70.51 -52.44 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 112' ' ' VAL . 4.1 mt -36.37 -43.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.448 ' CA ' ' HB3' ' A' ' 120' ' ' SER . 75.5 mtm -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 24.2 tt0 -46.79 -22.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -62.41 -69.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.86 -37.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.448 ' HB3' ' CA ' ' A' ' 116' ' ' MET . 32.8 t -49.86 -61.15 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.8 t80 -49.33 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -49.55 -35.61 20.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 123' ' ' ARG . 10.8 ttm-85 -70.66 -46.69 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.15 -37.89 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 71.2 mt -59.36 -43.0 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -97.79 16.52 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.4 p -87.78 152.52 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.72 -50.23 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' PHE . 90.9 mt -46.76 -47.19 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -67.56 -61.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.535 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.847 0.356 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.0 p -45.09 -39.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -72.74 -45.65 57.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.4 m0 -41.11 -42.38 1.99 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -56.74 -37.57 77.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLY . 33.5 mm-40 -37.81 -57.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -149.42 150.04 31.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.68 -26.86 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.35 -54.69 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -46.63 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.58 -47.63 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.0 mt -65.06 -53.2 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LEU . 8.1 t -34.4 -44.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -83.13 150.97 25.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -77.92 -57.48 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.71 -52.27 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.14 96.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 tp -64.47 -54.28 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.706 0.288 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.71 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.12 -54.71 22.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.618 ' CE2' HD11 ' A' ' 36' ' ' LEU . 63.7 t80 -41.23 -50.98 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' CG ' ' A' ' 37' ' ' LYS . 96.2 m -51.75 -60.92 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' THR . 47.4 mtm-85 -37.79 -54.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 4.9 t80 -47.86 -43.98 28.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.618 HD11 ' CE2' ' A' ' 32' ' ' PHE . 12.5 mt -72.83 -45.15 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' CG ' HG22 ' A' ' 33' ' ' THR . 9.3 mtpt -44.04 -49.76 8.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -58.44 -38.98 78.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -92.09 13.91 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 52.12 33.62 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.8 m -106.54 -11.0 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 pp20? -44.04 -43.6 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.1 pt-20 -37.12 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.0 m-20 -72.66 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 32' ' ' PHE . 9.1 tp -66.42 -33.0 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' ' OE1' ' A' ' 42' ' ' GLU . 7.9 mt-10 -47.02 -43.96 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -70.22 -45.56 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.439 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.9 t90 -46.34 -46.77 18.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.06 -47.85 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.43 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.55 -50.43 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 15.5 mm-40 -55.8 -54.64 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -60.86 -33.47 73.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 22.5 t80 -60.12 -34.05 72.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' LYS . 42.8 mtmt -68.89 -44.9 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 36.4 mttm -37.27 -39.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 m -52.31 144.28 13.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.31 -33.75 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 58' ' ' LYS . . . -86.03 164.87 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.72 -51.77 0.37 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -40.87 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.43 -53.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 60' ' ' PRO . 70.3 mt -48.23 -54.09 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -59.74 -53.67 55.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -49.52 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -58.03 -55.06 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.3 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -63.86 -50.59 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -59.05 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.86 -36.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.62 ' HD2' HD13 ' A' ' 97' ' ' ILE . 8.0 t80 -56.92 -68.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 48.3 mt-10 -63.89 -0.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.831 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 36.2 tttt -92.64 -53.2 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 9.2 m-85 -118.07 -45.28 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 71' ' ' TYR . 44.5 mm -50.93 -69.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 1.6 pt20 -52.0 147.5 7.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.4 m -75.1 -37.23 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -72.78 17.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -90.55 145.77 33.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.564 0.697 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.55 30.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.591 2.194 . . . . 0.0 112.305 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -115.46 18.03 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.434 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 2.9 pp20? -50.44 115.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.32 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 104.65 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 75' ' ' ILE . 21.4 mt -126.54 139.92 52.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.18 144.29 57.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -45.13 -53.98 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -53.78 -55.69 24.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.1 m -49.09 -43.12 40.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -69.45 -44.66 70.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 40.2 tt0 -64.01 -64.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -38.71 -47.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 91.9 mt -66.07 -36.96 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 88.2 m -55.0 -43.41 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -86.42 -33.5 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 t -90.02 18.03 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.62 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -74.24 -13.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -106.67 -16.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 30.3 mm-40 -118.01 27.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.8 157.22 61.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.739 2.293 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 p -133.33 176.98 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.9 -23.41 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -104.92 17.08 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.2 t -86.62 -70.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASP . 18.2 m-85 -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' PHE . 8.7 t70 -37.28 -41.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.06 14.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.14 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -50.99 -48.06 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 t -55.89 -40.14 72.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -53.8 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.28 -50.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -43.28 -47.11 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 54.1 mm-40 -69.15 -50.11 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.3 -49.66 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.466 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 53.9 mtm -64.41 -61.48 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -38.98 -29.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.6 mt-30 -53.22 -70.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.99 -37.72 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.466 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 67.4 m -47.63 -50.68 23.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.75 -59.62 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -49.77 -34.77 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 10.3 ttm180 -72.66 -49.66 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 58.7 t80 -51.78 -27.68 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.17 -30.27 63.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -103.12 16.96 25.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' ASP . 68.2 p -95.5 120.36 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.731 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -34.65 -41.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.22 -56.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -68.89 -43.41 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 128' ' ' ASP . 95.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.821 0.344 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.91 -35.72 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 52.4 mttt -73.84 -47.89 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -38.59 -53.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -44.18 -36.92 4.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' GLY . 35.3 mt-10 -33.58 -54.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -164.27 159.44 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 3.9 t80 -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.87 -45.6 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -54.09 -41.42 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.6 -61.17 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.17 -45.9 61.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -48.14 -42.01 28.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -80.89 146.62 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -55.42 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -53.15 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.63 -47.19 58.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.3 -54.44 37.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.325 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -48.92 -59.94 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.15 79.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 23.3 t80 -54.04 -49.63 68.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 92.4 m -50.81 -51.14 53.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -42.58 -61.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HA ' HD12 ' A' ' 129' ' ' ILE . 3.0 t80 -39.83 -43.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.639 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 47.1 mt -72.49 -49.44 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 33' ' ' THR . 20.4 mttt -43.3 -46.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -38.99 82.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -96.01 15.72 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.97 34.04 12.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.462 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -104.11 -11.61 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.3 pp20? -42.67 -46.5 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -34.47 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-20 -65.01 -58.95 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -64.22 -35.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -51.84 -46.1 64.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 89.6 t80 -65.36 -41.74 93.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -52.63 -46.57 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.35 -53.84 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.39 -25.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 54' ' ' PHE . 81.4 m -78.59 -69.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -44.89 -24.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.93 -29.26 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -62.58 -36.62 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LYS . 16.7 ptpt -75.37 -37.34 60.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.5 mtpp -37.98 -37.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.12 155.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 -37.17 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.6 165.04 23.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.54 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.84 -42.88 2.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.92 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.5 tp-100 -48.73 -45.17 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.766 HD11 HD21 ' A' ' 102' ' ' LEU . 95.0 mt -54.7 -43.34 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -63.44 -49.52 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.62 -61.1 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 69.2 mttt -54.79 -56.42 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.67 -55.2 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.39 -56.82 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.435 HG23 ' CE1' ' A' ' 74' ' ' PHE . 25.5 mt -49.11 -42.56 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 2.1 t80 -53.88 -66.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -64.01 -4.37 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 19.7 tttt -88.71 -69.48 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.02 -62.11 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' PHE . 43.5 mm -34.18 -67.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.497 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.6 pt20 -53.19 140.08 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -78.54 172.02 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.641 ' H ' HG22 ' A' ' 77' ' ' THR . 0.9 OUTLIER 51.2 32.14 7.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.906 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 171.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.906 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 55.0 Cg_endo -69.71 -31.82 20.0 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.2 mmtp -117.99 16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 3.0 pp20? -52.04 114.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.61 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.9 m -100.7 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -72.08 104.49 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' A' ' 83' ' ' VAL . 72.0 mt -136.7 141.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.05 140.61 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -43.84 -46.42 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -50.36 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.2 m -43.36 -47.39 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -61.35 -48.98 78.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -54.39 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -49.71 -46.22 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.34 -43.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.5 m -53.33 -44.37 68.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -84.22 -33.12 24.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 t -92.41 18.04 9.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.472 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -69.43 -11.0 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.659 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -104.07 -19.9 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.812 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 31.5 mt-30 -118.06 29.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.1 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.274 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -97.82 177.83 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.766 HD21 HD11 ' A' ' 63' ' ' ILE . 96.7 mt -69.86 -29.74 67.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -98.6 17.9 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -79.24 -70.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASP . 19.4 m-85 -44.87 -30.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -36.83 -41.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.11 77.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -50.59 -39.65 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t -55.9 -55.26 34.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -43.36 -60.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.612 HG12 ' HE2' ' A' ' 116' ' ' MET . 76.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -41.7 -40.65 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -77.31 -51.74 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 7.1 mt -51.65 -34.32 37.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.612 ' HE2' HG12 ' A' ' 112' ' ' VAL . 62.3 mtm -80.18 -55.04 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 121' ' ' TYR . 37.6 tt0 -51.53 -16.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 115' ' ' LEU . 4.5 pt20 -102.71 -38.12 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.418 ' OD1' ' HD3' ' A' ' 123' ' ' ARG . 4.4 t0 -98.07 -70.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 36' ' ' LEU . 3.4 p -48.51 -45.09 36.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 125' ' ' LEU . 26.7 t80 -62.47 -67.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 p -39.65 -52.34 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 36.6 mtp180 -67.1 -48.84 66.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.72 -50.8 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 121' ' ' TYR . 87.5 mt -54.26 -35.32 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -103.5 17.5 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -91.47 136.91 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -45.28 -55.26 6.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 35' ' ' PHE . 75.0 mt -41.63 -52.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.29 -58.83 5.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -31.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 17' ' ' GLU . 39.9 mttm -78.8 -48.67 14.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 53.7 m0 -37.8 -43.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.56 -41.45 73.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LYS . 22.6 mt-10 -38.04 -64.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -141.29 153.17 45.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.4 t80 -60.41 -40.67 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -57.03 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -40.0 -47.75 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 15' ' ' TRP . 6.1 tp -55.38 -58.95 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.27 -50.01 65.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -39.47 -47.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.91 148.47 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -77.35 -55.25 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.93 -52.31 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.51 -54.35 37.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HD11 ' A' ' 45' ' ' ILE . 56.2 tp -46.57 -54.68 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -49.74 -55.0 15.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.11 78.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.682 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 25.2 t80 -52.88 -48.26 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.5 m -52.6 -53.08 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -38.75 -54.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 129' ' ' ILE . 26.8 t80 -48.68 -43.15 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 14.8 mt -72.59 -46.99 51.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' A' ' 33' ' ' THR . 22.7 mtpt -41.84 -41.62 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -65.2 -36.15 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt-10 -94.56 11.5 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 52.04 33.32 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -107.8 -17.7 14.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.5 pp20? -39.06 -42.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 83' ' ' VAL . 11.1 pt-20 -33.41 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' GLU . 75.9 m-20 -63.41 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.4 tp -60.2 -29.84 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.89 -45.26 71.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 44.0 t80 -68.5 -46.81 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 13.8 t90 -51.26 -37.51 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 HD21 ' A' ' 29' ' ' LEU . 14.2 mt -71.11 -55.05 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.35 -36.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 92.8 m -60.77 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -44.34 -37.69 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -82.49 -34.25 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.8 t80 -58.79 -46.21 88.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.37 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.64 -31.03 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 m -56.09 144.57 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 107.12 14.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.99 162.21 11.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.5 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 65' ' ' LEU . 9.2 tm0? -38.41 -70.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -43.37 -52.96 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 66.8 mt -48.77 -54.23 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -51.05 -51.45 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' OE1' ' A' ' 61' ' ' GLN . 22.1 mt -52.4 -67.03 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -53.53 -58.08 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -38.86 -45.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -62.82 -53.07 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -58.56 -62.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.7 mt -49.78 -39.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -59.46 -66.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 21.6 mt-10 -66.96 -1.16 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 73.0 tttt -92.64 -62.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 5.5 m-85 -104.04 -63.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.536 HD13 ' CD1' ' A' ' 85' ' ' LEU . 48.3 mm -32.05 -71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.7 pt20 -55.88 156.13 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.0 m -91.0 -30.36 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 16.9 t70 -72.81 18.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -104.8 156.86 35.35 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 52.7 Cg_endo -69.81 -40.38 5.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -95.67 17.89 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -52.0 121.9 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -105.0 176.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -82.09 104.38 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.536 ' CD1' HD13 ' A' ' 75' ' ' ILE . 27.1 mt -126.51 146.91 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.21 142.68 46.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 4.3 t80 -50.26 -54.55 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -53.37 -61.86 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -42.89 -42.13 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.54 -51.9 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -56.6 -50.25 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -51.58 -43.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 75' ' ' ILE . 95.6 mt -68.38 -43.05 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -54.27 -42.08 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -87.51 -32.91 19.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -91.16 18.12 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -73.29 -9.79 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.687 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -105.07 -19.73 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 46.9 mt-30 -118.0 27.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.83 135.36 30.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -107.35 175.41 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.86 -24.24 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -105.16 18.03 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -61.56 -60.74 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' ASP . 65.6 m-85 -68.2 -27.13 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.6 t0 -32.97 -44.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.94 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.62 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 48' ' ' TRP . 22.6 tt0 -51.31 -43.56 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.3 t -48.16 -46.76 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' PHE . 65.5 t -51.05 -51.13 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -45.3 -45.53 12.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 84' ' ' ASN . 3.6 mt -43.95 -37.98 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' GLN . 37.7 mtm -75.65 -69.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 12.4 tt0 -37.95 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 116' ' ' MET . 24.3 mm-40 -41.81 -70.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -117.97 -34.42 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.661 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -50.88 -49.32 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 19.4 t80 -69.46 -66.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.0 p -44.25 -46.45 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -69.87 -50.09 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 64.4 t80 -42.43 -40.73 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.75 -36.66 72.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -101.16 16.69 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.2 p -89.91 141.75 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 128' ' ' ASP . 7.9 t0 -57.47 -46.22 83.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -47.5 -52.49 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.2 t80 -59.45 -49.35 78.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.32 -36.01 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' TRP . 35.3 mttt -73.34 -50.26 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 50.9 m0 -36.85 -59.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -37.98 -39.87 0.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.545 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 40.0 mt-10 -35.1 -67.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -137.82 150.48 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.0 t80 -62.73 -28.78 70.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -67.21 -48.92 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 48.6 mttt -49.6 -40.71 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.82 -55.99 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 19' ' ' PHE . 74.4 mt -49.81 -53.55 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -44.24 -42.91 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 8.0 t-160 -73.58 143.67 46.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -78.1 -67.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.568 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 2.5 m-20 -41.7 -54.13 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.02 98.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 45' ' ' ILE . 65.0 tp -57.43 -40.99 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.3 -61.71 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.52 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 28.1 t80 -55.13 -49.16 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.5 m -53.28 -51.67 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -44.83 -60.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 129' ' ' ILE . 41.6 t80 -39.49 -41.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 26.7 mt -74.15 -45.35 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.03 -46.55 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -61.43 -37.08 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.55 12.98 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 52.07 34.38 13.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -108.98 -11.6 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -45.24 -38.38 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -39.58 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-20 -74.29 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 29' ' ' LEU . 6.7 tp -65.56 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -50.4 -40.82 50.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t80 -72.62 -41.14 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.3 t90 -51.82 -43.7 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 59.6 mt -68.16 -53.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.04 -41.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' PHE . 75.2 m -59.47 -62.76 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.8 mm-40 -36.26 -51.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.39 -36.31 74.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 19.6 t80 -55.69 -33.71 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 102' ' ' LEU . 6.1 mttm -72.6 -29.58 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -83.02 17.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -71.04 164.45 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -126.94 132.93 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.14 167.03 3.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.69 29.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 65' ' ' LEU . 21.3 tp60 -63.78 -59.43 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -46.13 -48.56 17.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 21.7 mt -58.67 -47.5 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -58.85 -42.87 90.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 61' ' ' GLN . 10.0 mp -68.9 -60.09 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -52.91 -45.71 67.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.97 -56.61 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -65.05 -61.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.17 -46.34 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -77.37 -36.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -59.23 -60.54 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.1 mt-10 -65.04 -3.67 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.609 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 67.6 tttt -88.03 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 4.4 m-85 -110.8 -59.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 74' ' ' PHE . 40.5 mm -32.12 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 2.3 pt20 -52.17 170.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -102.02 -30.04 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -74.76 17.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -101.42 155.53 36.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -39.79 6.19 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -96.44 18.01 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 2.6 pp20? -51.96 113.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 44' ' ' ASN . 33.0 m -92.87 179.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -78.41 102.16 7.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 30.7 mt -126.98 141.15 51.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -62.5 141.17 58.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.95 -57.47 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -44.16 -62.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -45.63 -42.84 11.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -65.89 -44.86 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.53 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.44 -48.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.579 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.9 mt -66.4 -44.4 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.3 m -50.62 -40.36 52.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -87.99 -32.52 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -89.78 17.64 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 9.5 tp -78.79 -7.71 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.678 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 5.2 t -105.24 -24.75 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.838 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.1 pm0 -118.17 27.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.0 Cg_endo -69.74 146.16 59.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.1 p -117.33 179.04 4.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 55' ' ' LYS . 13.4 mt -61.03 -13.17 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -110.57 17.89 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.2 t -66.41 -53.87 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 61.0 m-85 -78.2 9.48 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -60.61 -44.87 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -54.65 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.57 -53.34 7.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -44.58 -45.26 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -57.06 -48.17 79.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -56.81 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.67 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -44.89 -42.38 7.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -74.91 -46.61 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -46.69 -41.77 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 118' ' ' GLN . 72.4 mtm -75.64 -68.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 34.3 tt0 -36.87 -33.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 116' ' ' MET . 11.1 mm-40 -49.27 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.96 -37.25 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.414 ' HB2' ' C ' ' A' ' 116' ' ' MET . 67.6 m -48.15 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 21.9 t80 -58.2 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.1 p -40.75 -43.69 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 126' ' ' LYS . 22.0 mtt180 -68.81 -50.79 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 53.2 t80 -53.49 -28.97 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.34 -22.62 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -117.91 -8.03 10.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 128' ' ' ASP . 90.2 p -57.94 120.88 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 127' ' ' SER . 5.4 m-20 -32.72 -47.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' PHE . 78.9 mt -47.55 -52.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 130' ' ' TYR . 2.9 t80 -60.04 -50.32 74.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.961 0.41 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -43.16 -37.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' TRP . 63.6 mttt -74.16 -47.05 38.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.62 ' CH2' ' CA ' ' A' ' 28' ' ' GLY . 36.9 m0 -35.58 -51.06 0.63 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.02 -44.27 13.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 46.6 mt-10 -36.29 -64.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.3 m -139.07 155.53 47.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 20.3 t80 -61.84 -48.69 79.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -44.08 -43.39 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -53.06 -45.42 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 32' ' ' PHE . 35.5 tp -57.62 -60.85 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 48' ' ' TRP . 37.3 mt -54.23 -48.59 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -41.54 -44.89 3.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -83.29 158.77 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.676 HH21 HD23 ' A' ' 29' ' ' LEU . 3.6 tpm_? -86.79 -58.06 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -48.05 -54.3 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.62 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -56.77 -48.82 74.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.562 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD23 HH21 ' A' ' 26' ' ' ARG . 40.2 tp -52.15 -52.82 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 mm-40 -50.48 -60.66 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.52 -43.58 11.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HB2' HD21 ' A' ' 22' ' ' LEU . 43.8 t80 -58.11 -49.35 77.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.9 m -50.27 -51.0 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -64.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 9.8 t80 -37.9 -43.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 30.4 mt -71.03 -47.13 60.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -43.79 -49.02 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -59.72 -37.08 77.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 25.1 mm-40 -91.15 14.08 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.16 31.94 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -116.56 16.58 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.6 pt-20 -35.71 -29.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 47.2 m-20 -60.24 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.3 tp -73.59 -36.27 46.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -43.22 -44.38 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 36.8 t80 -70.42 -48.1 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CE2' HD13 ' A' ' 23' ' ' LEU . 52.3 t90 -43.97 -46.25 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.0 mt -64.47 -46.89 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.59 -43.56 36.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -50.3 -57.14 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.98 -61.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HA ' ' CD ' ' A' ' 56' ' ' LYS . 26.0 t0 -53.02 -42.41 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 31.9 t80 -56.5 -45.55 80.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HA ' HD22 ' A' ' 102' ' ' LEU . 54.6 mtmt -62.55 -43.87 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 53' ' ' ASP . 20.4 mtpp -40.04 -36.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -52.44 149.26 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.99 -31.61 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . -97.15 166.29 23.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.632 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.4 Cg_endo -69.63 -42.09 3.85 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -58.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -55.99 -61.7 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 60' ' ' PRO . 22.6 mt -37.61 -54.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -54.68 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.22 -64.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -46.45 -46.96 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.54 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -58.12 -51.23 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.15 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.96 -39.15 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -58.22 -62.16 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 47.0 mt-10 -68.79 -0.69 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 8.3 tttp -95.04 -64.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 16.0 m-85 -102.62 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 34.7 mm -32.12 -73.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.6 pt20 -52.09 161.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 79' ' ' ALA . 5.7 m -95.11 -32.65 12.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.451 ' OD1' ' CD ' ' A' ' 76' ' ' GLN . 6.8 p-10 -71.6 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -105.57 155.81 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.48 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -84.55 17.99 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -52.06 119.73 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 43' ' ' GLU . 35.0 m -104.51 176.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -88.9 109.45 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.4 168.27 11.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.09 147.69 52.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 8.4 t80 -47.23 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 92' ' ' VAL . 2.6 t-80 -60.26 -61.05 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -40.46 -38.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 26.3 tttt -69.07 -47.35 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 5.5 tp10 -70.65 -59.37 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' CD2' ' A' ' 88' ' ' HIS . 1.0 OUTLIER -35.45 -47.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 97.7 mt -64.42 -43.61 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 59.9 m -55.49 -41.79 73.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.7 -25.73 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -100.43 17.89 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -72.96 -2.24 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.662 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.2 p -105.89 -24.26 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 57.2 mt-30 -118.03 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.3 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.9 p -106.05 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.635 HD22 ' HA ' ' A' ' 55' ' ' LYS . 57.7 mt -62.58 -27.93 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.21 17.01 13.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 -63.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 106' ' ' ASP . 14.9 m-85 -55.38 -34.98 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.2 t70 -35.81 -47.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -55.45 33.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.32 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -53.08 -41.55 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -61.1 -55.96 26.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 44' ' ' ASN . 89.8 t -65.17 -51.93 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.411 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 16.7 t80 -39.23 -46.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -70.73 -49.67 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 112' ' ' VAL . 7.3 mt -41.15 -38.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 113' ' ' TYR . 40.8 mtm -76.54 -60.58 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 7.2 tm-20 -49.39 -17.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -64.49 -71.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -117.95 -37.86 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.4 m -48.89 -43.98 39.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -71.24 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.6 p -42.87 -44.44 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 123' ' ' ARG . 7.2 mtp180 -69.15 -44.05 73.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 38.1 t80 -47.53 -37.03 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.59 -35.35 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -96.05 15.66 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.5 p -96.43 139.14 32.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -54.47 -43.29 71.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 57.9 mt -47.25 -57.55 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.8 t80 -53.34 -51.65 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.65 -41.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' GLU . 40.0 mttm -72.44 -43.81 63.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 40.9 m0 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -62.36 -41.61 99.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' LYS . 32.7 mt-10 -33.51 -53.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -150.58 156.35 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.676 ' CE2' HD11 ' A' ' 23' ' ' LEU . 24.0 t80 -59.75 -47.34 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -51.73 -44.82 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -48.17 -45.24 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.74 -60.79 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.676 HD11 ' CE2' ' A' ' 19' ' ' PHE . 40.1 mt -46.44 -52.75 12.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -39.16 -43.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -84.97 139.23 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.96 -59.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.17 -53.15 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.86 80.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 45' ' ' ILE . 50.9 tp -52.64 -47.13 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -49.06 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.3 -41.94 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 42.4 t80 -56.49 -46.18 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.6 m -53.59 -50.21 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.4 t80 -40.43 -39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 32' ' ' PHE . 42.6 mt -73.74 -43.32 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -49.51 -41.79 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -63.46 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -94.06 13.26 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 52.33 36.97 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -114.13 -10.01 12.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 pp20? -43.19 -42.64 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' HG12 ' A' ' 83' ' ' VAL . 9.0 pm0 -36.72 -26.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m-20 -68.13 -59.66 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 29' ' ' LEU . 10.3 tp -61.1 -32.75 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -53.76 -43.43 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' HG21 ' A' ' 112' ' ' VAL . 37.6 t80 -73.66 -44.04 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -50.71 -48.78 58.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.77 -49.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.72 -42.57 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.98 -55.92 19.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -51.34 -46.86 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.96 -33.87 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 105' ' ' PHE . 43.2 t80 -59.53 -36.22 75.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.08 -41.81 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.9 t -52.63 149.77 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -117.53 -37.28 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.57 30.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.85 10.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 2.5 tp-100 -42.1 -70.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 6.1 mm-40 -46.31 -62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLN . 66.2 mt -37.1 -39.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 21.7 m80 -72.08 -51.68 20.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.37 -63.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.535 ' HE2' ' NE2' ' A' ' 62' ' ' GLN . 18.8 mttm -43.83 -54.08 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -46.88 -50.29 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -56.89 -49.78 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -65.12 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CD2' ' A' ' 74' ' ' PHE . 25.3 mt -53.3 -39.54 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -57.72 -65.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 70.0 mt-10 -67.51 -1.26 4.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 69.9 tttt -95.02 -63.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' HG23 ' A' ' 70' ' ' ILE . 5.7 m-85 -103.96 -62.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.578 ' HA ' HD12 ' A' ' 85' ' ' LEU . 33.1 mm -31.99 -70.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.7 pt20 -57.15 164.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -97.93 -32.49 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.57 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.11 156.1 35.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.78 -35.8 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -101.49 18.0 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -51.92 127.06 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.579 HG12 ' HG2' ' A' ' 43' ' ' GLU . 31.8 m -109.26 172.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -72.19 109.09 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' ILE . 52.2 mt -134.47 143.51 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.11 155.39 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.27 -55.9 28.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -50.75 -63.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -41.85 -44.99 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -65.25 -48.45 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.84 -60.07 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -42.18 -47.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.69 -45.38 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.1 m -51.39 -40.91 60.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.3 -34.32 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -89.75 17.96 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.464 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.5 tp -73.87 -5.28 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.692 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.0 t -106.2 -20.33 13.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.84 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.8 tt0 -118.04 27.06 0.12 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.84 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 104' ' ' SER . 19.2 p -104.58 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -102.07 17.95 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 101' ' ' THR . 3.6 t -68.71 -48.81 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 43.1 m-85 -79.97 15.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.22 -53.54 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.26 -53.73 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.58 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.83 -46.21 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 t -57.01 -40.36 76.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.53 -57.07 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 47' ' ' PHE . 85.4 t -60.95 -50.61 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.2 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' VAL . 7.7 t80 -37.79 -53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -66.98 -48.39 68.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 112' ' ' VAL . 10.0 mt -40.52 -40.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -73.16 -67.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 117' ' ' GLU . 6.3 tm-20 -39.15 -35.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -41.05 -71.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 123' ' ' ARG . 4.5 m-20 -118.02 -37.98 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 m -46.53 -56.53 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 63.2 t80 -60.12 -59.36 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.7 p -43.63 -47.29 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.39 -51.28 53.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 59.5 t80 -48.59 -39.95 25.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 18.9 mt -56.94 -28.33 62.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -116.15 14.51 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 129' ' ' ILE . 97.6 p -84.15 116.84 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.6 m-20 -33.29 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' SER . 87.4 mt -58.61 -57.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 t80 -55.82 -46.86 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 128' ' ' ASP . 5.5 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.568 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.808 0.337 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 p -42.85 -38.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -73.74 -49.19 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 48.9 m0 -42.87 -46.01 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.26 -35.51 20.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -40.88 -58.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.28 165.33 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 23' ' ' LEU . 30.9 t80 -60.33 -43.06 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' LYS . 2.1 t70 -51.68 -64.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -34.01 -56.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 tp -48.08 -54.98 11.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 19' ' ' PHE . 55.4 mt -56.47 -50.08 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -39.96 -41.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.99 141.84 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.34 -55.4 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -48.65 -48.27 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.56 97.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 tp -66.04 -51.01 62.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -54.37 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.86 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 46.2 t80 -55.91 -53.08 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 m -48.97 -44.27 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 34' ' ' ARG . 31.1 mtt-85 -52.76 -47.39 67.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -51.43 -44.79 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 15.3 mt -68.82 -42.69 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -42.98 -47.59 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -56.62 -32.83 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' LEU . 61.7 mm-40 -101.54 13.53 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 52.14 33.36 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.1 t -116.13 12.57 15.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -58.31 -36.22 73.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.53 -31.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' HG11 ' A' ' 112' ' ' VAL . 5.9 m-20 -54.94 -41.29 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -85.92 -25.66 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.22 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 39.2 t80 -76.33 -45.25 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 52.5 t90 -51.15 -44.47 61.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.1 mt -65.17 -44.4 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -49.42 -43.27 44.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.1 m -56.61 -56.55 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 59.9 mm-40 -47.44 -53.54 13.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 17.1 t0 -69.96 -26.61 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.4 t80 -65.7 -49.3 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 9.2 ptpt -60.73 -43.28 98.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 26.7 mtmt -39.02 -31.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.4 t -52.88 140.65 23.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -103.15 -38.59 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.75 164.31 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.2 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.697 HE22 HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -37.34 -66.17 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -45.83 -52.83 10.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.0 mt -47.88 -49.44 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.697 HD21 HE22 ' A' ' 61' ' ' GLN . 25.0 mt -51.4 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -55.77 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.42 -47.2 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -67.48 -54.45 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -57.74 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.524 HG23 ' CD1' ' A' ' 74' ' ' PHE . 61.0 mt -59.32 -37.38 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 10.4 t80 -53.21 -69.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 39.5 mt-10 -64.94 -1.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.797 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 9.4 tttp -92.14 -50.16 5.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 11.7 m-85 -118.0 -48.23 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 31.0 mm -49.07 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.546 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 1.4 pt20 -55.51 147.72 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 79' ' ' ALA . 8.7 m -76.35 -32.46 58.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.48 17.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.797 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -97.82 146.27 31.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -107.45 17.92 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 2.9 pp20? -51.53 113.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' A' ' 85' ' ' LEU . 17.8 m -94.52 176.3 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 83' ' ' VAL . 63.0 mt -126.19 143.65 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.58 145.61 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -50.89 -52.07 45.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.554 ' CE1' HG21 ' A' ' 92' ' ' VAL . 1.8 t-80 -51.87 -55.69 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.5 m -51.57 -42.7 62.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -65.05 -49.45 70.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.62 -58.39 8.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 88' ' ' HIS . 83.8 t -44.49 -48.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.45 -39.66 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -53.4 -43.99 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -85.24 -31.78 22.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -92.35 17.8 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -75.36 -10.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.701 HG23 ' HG2' ' A' ' 99' ' ' GLN . 10.1 t -106.52 -18.76 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.8 mm100 -118.18 26.7 0.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.0 Cg_endo -69.85 125.55 12.23 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.609 2.206 . . . . 0.0 112.348 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.491 ' N ' ' HB3' ' A' ' 104' ' ' SER . 22.8 p -93.37 179.15 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 63' ' ' ILE . 42.6 mt -56.81 -19.52 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.446 ' H ' ' CD2' ' A' ' 103' ' ' HIS . 5.0 p80 -114.39 18.0 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 101' ' ' THR . 87.4 p -55.77 -33.56 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.84 17.8 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -62.12 -40.04 94.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.46 -53.65 7.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.3 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -54.97 -44.67 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -49.48 -51.85 33.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -48.28 -59.23 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.709 HG12 ' CE ' ' A' ' 116' ' ' MET . 54.5 t -60.71 -59.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.452 ' CE2' ' OE1' ' A' ' 117' ' ' GLU . 73.4 t80 -40.12 -52.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -66.64 -55.69 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.28 -49.56 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.709 ' CE ' HG12 ' A' ' 112' ' ' VAL . 50.1 mtm -74.62 -57.97 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 22.6 tt0 -43.85 -26.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -69.9 -69.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 120' ' ' SER . 21.3 m-20 -98.03 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 119' ' ' ASP . 64.7 m -32.3 -59.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.535 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 12.4 t80 -51.36 -64.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.5 p -51.89 -64.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -44.17 -53.63 6.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 27.0 t80 -39.94 -59.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.83 -36.15 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.88 -28.24 58.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' PHE . 33.4 p -62.2 127.99 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.737 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -45.8 -37.66 6.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.9 mt -45.61 -50.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -68.52 -51.53 42.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.0 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.19 -35.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.83 -44.22 20.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.497 ' CH2' ' HA2' ' A' ' 28' ' ' GLY . 41.6 m0 -45.41 -32.3 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.83 15.58 6.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.37 -53.06 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.6 p -158.41 154.28 26.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -56.8 -42.57 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -59.65 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -40.19 -43.7 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.1 tp -61.03 -47.78 84.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.2 mt -67.4 -34.27 76.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -64.75 -41.69 95.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -89.44 115.08 26.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -41.6 -65.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -41.66 -46.85 3.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.74 -43.42 99.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.99 -47.61 73.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.19 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -42.53 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.7 t80 -55.35 -54.39 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.401 ' HA ' HD12 ' A' ' 36' ' ' LEU . 88.5 m -48.58 -50.2 33.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -42.45 -62.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.522 ' HB2' HD12 ' A' ' 129' ' ' ILE . 19.6 t80 -45.33 -37.3 4.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD11 ' CE2' ' A' ' 32' ' ' PHE . 24.8 mt -75.76 -40.92 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.95 -42.67 63.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 p -61.96 -37.58 85.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.597 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 63.6 mm-40 -92.7 13.76 19.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.41 31.96 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -107.86 -11.5 15.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.4 pp20? -41.2 -44.2 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.6 pt-20 -33.52 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLU . 77.8 m-20 -60.9 -58.24 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 42' ' ' GLU . 10.7 tp -62.42 -29.15 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.89 -46.07 82.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 64.8 t80 -66.53 -37.51 85.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.447 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 23.3 t90 -59.48 -38.18 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.46 -48.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.4 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.1 m -55.49 -54.36 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 30.2 mm-40 -47.53 -55.93 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.49 -38.35 90.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 55' ' ' LYS . 1.4 t80 -58.4 -57.05 14.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 54' ' ' PHE . 16.4 ptpt -61.83 -33.62 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -65.48 -17.19 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -55.32 167.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -132.09 116.96 17.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.33 164.96 24.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.1 Cg_endo -69.82 -51.02 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.505 ' OE1' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -37.1 -65.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' HG3' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp60 -49.46 -56.7 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.533 HG12 HD23 ' A' ' 102' ' ' LEU . 34.8 mt -47.91 -47.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -63.71 -57.14 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.505 HD22 ' OE1' ' A' ' 61' ' ' GLN . 11.2 mp -55.65 -56.56 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.407 ' HE2' ' HG3' ' A' ' 62' ' ' GLN . 6.9 mmtm -52.2 -49.52 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.55 -53.71 42.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -56.16 -57.1 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.2 mt -50.7 -45.07 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.95 -62.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -63.85 -4.69 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 22.1 tttt -89.13 -69.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -98.5 -62.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.542 HD13 ' CD1' ' A' ' 85' ' ' LEU . 49.9 mm -33.67 -67.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.2 pt20 -52.0 138.26 25.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.17 160.03 25.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 63.76 32.06 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.992 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -106.52 172.88 3.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.992 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.78 -31.77 19.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.6 mmtp -118.05 17.89 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' A' ' 79' ' ' ALA . 2.7 pp20? -52.07 132.13 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' HG ' ' A' ' 85' ' ' LEU . 34.7 m -119.8 173.25 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.596 ' O ' HD11 ' A' ' 115' ' ' LEU . 29.3 m-20 -83.03 103.01 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 83' ' ' VAL . 89.0 mt -123.1 165.71 16.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.4 156.73 24.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -59.25 -59.28 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.75 -65.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -48.24 -52.3 21.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -52.0 -45.91 64.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -66.28 -59.2 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -40.79 -43.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.74 -46.04 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -51.48 -41.43 60.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -88.9 -32.01 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -91.27 18.02 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.49 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -76.45 -8.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.196 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 7.5 t -105.02 -21.87 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 pt20 -117.96 27.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.76 141.48 45.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 103' ' ' HIS . 42.5 p -113.52 178.85 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.533 HD23 HG12 ' A' ' 63' ' ' ILE . 90.7 mt -57.04 -19.56 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.403 ' CE1' ' OG1' ' A' ' 101' ' ' THR . 45.1 p-80 -108.94 18.01 21.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -57.59 -54.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -79.43 14.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.1 -54.09 50.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.53 -54.36 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.7 -55.71 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -44.7 -53.09 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -49.4 -45.69 46.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.31 -61.08 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG12 ' SD ' ' A' ' 116' ' ' MET . 48.7 t -54.8 -53.99 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.8 t80 -34.66 -43.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' LEU . 21.9 mt-30 -72.98 -49.54 28.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 84' ' ' ASN . 35.0 mt -35.02 -44.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.667 ' SD ' HG12 ' A' ' 112' ' ' VAL . 3.5 mpp? -75.4 -68.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -41.0 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 116' ' ' MET . 61.1 mm-40 -58.55 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.03 -37.58 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 75.5 m -48.88 -54.16 16.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.641 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 32.6 t80 -56.01 -62.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.6 p -49.93 -37.79 33.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -70.61 -42.67 70.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.68 -34.82 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 80.6 mt -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -97.34 17.82 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.7 p -87.62 145.76 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -49.45 -54.09 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 35' ' ' PHE . 77.2 mt -43.57 -58.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 130' ' ' TYR . 2.4 t80 -59.54 -48.55 81.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.816 0.341 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.89 -30.87 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -82.26 -42.74 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 22' ' ' LEU . 43.5 m0 -42.49 -42.6 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.57 -37.71 61.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.9 mm-40 -34.51 -59.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.2 m -151.54 152.58 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.96 -46.75 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -55.1 -49.43 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 6.7 mtpt -42.44 -44.85 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 15' ' ' TRP . 5.9 tp -60.57 -59.81 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 38.7 mt -43.81 -51.65 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.977 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.8 t -37.33 -40.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -90.9 128.92 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -55.5 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.39 -51.63 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -57.99 -51.14 60.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.74 -45.31 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.08 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.53 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 36' ' ' LEU . 59.3 t80 -43.03 -46.0 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 33.4 m -58.69 -45.29 89.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -52.29 -59.77 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -47.16 -40.07 15.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.2 mt -70.67 -43.6 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -44.67 -49.96 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.1 p -54.28 -38.13 65.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.6 11.0 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 52.49 36.1 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -117.49 -0.95 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -45.24 -41.56 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -41.76 -33.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' O ' HG11 ' A' ' 112' ' ' VAL . 56.6 m-20 -53.06 -42.97 66.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.2 tp -85.06 -26.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.74 -38.26 66.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 48.4 t80 -74.82 -45.47 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -48.22 -51.73 24.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.4 mt -59.23 -50.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.09 40.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 47' ' ' PHE . 54.5 m -48.39 -42.44 31.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.05 -57.08 9.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 66' ' ' LYS . 44.8 t0 -55.63 -33.39 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.639 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.0 t80 -58.87 -37.61 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LYS . 35.7 mtmt -65.15 -43.88 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 30.1 mtpt -34.57 -36.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 58.1 p -52.44 148.1 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 5.5 ptmm? -117.98 -36.67 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -97.0 167.45 24.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -37.57 9.1 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.86 ' O ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -43.19 -63.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.3 tp60 -55.17 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.639 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 55.3 mt -34.55 -67.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -42.08 -46.63 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 61' ' ' GLN . 11.1 mp -67.98 -65.1 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 46.9 mttt -40.98 -42.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -51.87 60.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -60.4 -52.4 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.65 -57.17 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.94 -28.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 75' ' ' ILE . 16.9 t80 -65.93 -68.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 30.7 mt-10 -61.36 -3.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 20.4 tttp -93.83 -51.84 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 46.4 m-85 -115.48 -52.53 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 71' ' ' TYR . 27.9 mm -42.77 -69.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 2.2 pt20 -56.09 157.8 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -90.53 -25.64 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 12.1 t0 -78.44 17.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -98.81 153.24 37.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.0 24.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -110.18 17.9 20.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.87 125.83 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.82 178.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -89.37 102.47 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.62 ' CD1' HD13 ' A' ' 75' ' ' ILE . 17.4 mt -109.94 143.15 40.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -51.98 144.77 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -49.66 -57.22 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.413 ' CD2' HG21 ' A' ' 92' ' ' VAL . 41.1 t60 -57.16 -64.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.9 m -42.63 -54.22 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' ILE . 20.6 tttt -50.03 -45.41 52.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.6 tp10 -69.64 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' GLU . 95.5 t -35.66 -47.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ILE . 94.2 mt -61.64 -47.72 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -50.1 -43.45 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -82.12 -31.9 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m -96.16 17.75 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' ILE . 11.0 tp -73.58 -6.03 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.699 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -107.18 -19.33 13.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.834 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 1.8 tp60 -118.05 26.83 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.834 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.5 Cg_endo -69.73 126.5 13.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.2 p -102.35 177.59 4.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.4 -16.24 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -113.66 17.91 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -49.49 66.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -78.18 9.55 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.85 -41.96 96.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.66 -54.43 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.37 -50.95 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -46.71 -43.29 17.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.3 t -58.24 -47.56 83.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 111' ' ' ARG . 7.6 tpt85 -50.21 -59.56 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 47' ' ' PHE . 94.9 t -56.27 -51.01 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -45.73 -53.0 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.46 -40.77 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD23 ' OE1' ' A' ' 118' ' ' GLN . 6.9 mt -60.97 -24.48 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 120' ' ' SER . 72.1 mtm -95.2 -14.83 23.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tm-20 -94.04 -16.91 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.602 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -74.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.96 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.02 -37.64 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 116' ' ' MET . 58.3 m -48.17 -35.83 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -74.49 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.7 p -51.11 -39.86 57.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -73.55 -41.61 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 130' ' ' TYR . 10.2 t80 -49.47 -43.02 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 130' ' ' TYR . 6.6 mt -65.42 -36.25 83.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -74.43 -29.9 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.2 p -58.83 131.87 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -42.19 -39.42 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.2 mt -44.88 -55.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CE2' HD23 ' A' ' 125' ' ' LEU . 10.2 t80 -67.73 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.815 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 14' ' ' LYS . 7.2 p -60.27 -41.86 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 13' ' ' VAL . 28.3 mttm -74.25 -37.91 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.415 ' CZ3' ' HA2' ' A' ' 28' ' ' GLY . 45.0 m0 -41.39 -48.89 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -59.17 -33.34 74.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.2 mm-40 -35.65 -58.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -150.94 161.55 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.5 t80 -60.57 -43.03 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.43 -44.16 84.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.41 -49.23 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.16 -52.24 59.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 39.3 mt -59.97 -47.99 83.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 5.7 p -37.72 -40.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -86.16 149.08 25.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -73.49 -60.32 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -49.34 -55.61 12.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.77 -41.17 43.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.553 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.666 HD21 HG12 ' A' ' 49' ' ' ILE . 56.8 tp -63.4 -53.46 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -51.39 -62.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.82 -47.0 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 36' ' ' LEU . 57.7 t80 -51.77 -46.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.44 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.1 m -52.8 -56.41 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -38.44 -51.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -47.26 -51.63 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.0 mt -67.35 -43.09 82.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 33' ' ' THR . 18.9 mtpt -44.41 -51.04 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -54.13 -38.64 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.38 12.78 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 52.81 34.86 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -117.38 14.31 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.7 pm0 -63.88 -38.46 91.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.41 -37.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.542 ' O ' HG11 ' A' ' 112' ' ' VAL . 2.1 m-20 -57.08 -58.34 8.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.3 tp -67.74 -37.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -46.42 -41.34 13.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 73.8 t80 -68.3 -38.73 81.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 48' ' ' TRP . 13.8 t90 -58.04 -39.32 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.666 HG12 HD21 ' A' ' 29' ' ' LEU . 30.4 mt -77.4 -37.5 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 -27.31 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.8 m -78.59 -67.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 1.8 pp20? -42.36 -33.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -82.23 -40.86 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -52.36 -42.35 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' O ' HD22 ' A' ' 102' ' ' LEU . 39.9 mtmt -56.41 -46.28 80.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.7 mtpp -37.83 -32.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' LYS . 36.7 m -53.41 133.41 40.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -97.66 -56.66 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.38 164.61 54.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.533 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' OE1' HD13 ' A' ' 65' ' ' LEU . 1.1 tm0? -38.22 -68.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.08 -48.47 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 54' ' ' PHE . 68.6 mt -58.45 -49.92 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -55.06 -52.19 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.2 mp -62.24 -62.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -47.16 -52.04 16.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.65 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -55.5 -55.19 34.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.78 -43.83 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HD1' HG21 ' A' ' 75' ' ' ILE . 2.4 t80 -57.38 -61.19 2.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 29.6 mt-10 -62.74 -5.64 2.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 10.9 tttt -87.32 -69.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.09 -62.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' PHE . 44.1 mm -33.51 -69.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.603 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.4 pt20 -52.39 136.08 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.4 m -75.1 174.2 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.707 ' H ' HG22 ' A' ' 77' ' ' THR . 2.6 t70 48.28 31.99 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.9 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.43 170.36 6.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.9 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.67 -30.6 22.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 36.3 mmtt -117.98 17.86 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 2.8 pp20? -52.44 122.08 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -110.31 177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -86.97 112.88 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.8 mt -129.03 166.98 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -78.94 147.78 32.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.2 t80 -51.09 -62.0 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.65 ' O ' HG13 ' A' ' 92' ' ' VAL . 6.4 t-160 -44.74 -69.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 92' ' ' VAL . 43.1 m -45.55 -59.94 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 12.9 tttt -46.19 -20.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -97.41 -43.91 7.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 88' ' ' HIS . 1.5 m -55.45 -45.95 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 92' ' ' VAL . 96.4 mt -64.43 -46.26 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.8 m -49.97 -40.01 42.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -85.28 -35.16 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.8 t -87.74 17.99 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -71.9 -9.09 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.664 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -105.12 -21.82 13.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.4 pt20 -118.12 29.52 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.71 127.31 14.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 p -106.67 178.25 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 55' ' ' LYS . 87.2 mt -56.21 -24.12 39.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -102.12 17.85 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.1 t -68.34 -56.71 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -79.27 13.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.8 -47.15 79.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.45 -55.57 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.56 -47.96 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -47.46 -45.0 25.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.9 t -61.04 -49.88 75.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -40.45 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 44' ' ' ASN . 92.5 t -56.99 -58.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 65.1 t80 -37.49 -43.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -72.47 -56.52 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.56 -40.34 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLN . 63.3 mtm -74.1 -66.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.8 tm-20 -37.0 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' MET . 72.5 mt-30 -49.03 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -117.92 -35.73 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.9 m -50.53 -52.0 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 18.6 t80 -60.54 -68.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.1 p -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -65.6 -51.16 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 47.1 t80 -49.51 -36.86 24.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 79.8 mt -61.75 -30.15 70.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -101.01 16.55 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -95.32 144.32 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.84 -45.81 93.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -46.88 -42.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.474 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 2.4 t80 -68.17 -58.66 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.49 -31.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -80.72 -48.09 13.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 47.4 m0 -42.06 -46.32 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.21 -37.16 7.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.1 mt-10 -37.39 -58.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -158.89 156.65 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 23' ' ' LEU . 22.7 t80 -52.07 -47.69 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 38.7 t0 -44.08 -66.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -34.22 -55.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 32' ' ' PHE . 14.5 tp -48.13 -55.41 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 19' ' ' PHE . 35.5 mt -60.13 -45.11 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 t -46.26 -43.06 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -81.51 155.51 25.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -76.43 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.35 -58.09 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.35 -38.87 9.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.6 -54.6 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -50.59 -48.11 57.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.89 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' HB2' HD21 ' A' ' 22' ' ' LEU . 28.9 t80 -57.87 -55.87 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.9 m -48.73 -44.73 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.08 -61.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 129' ' ' ILE . 28.8 t80 -39.86 -44.88 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' ' C ' ' A' ' 41' ' ' SER . 51.5 mt -69.18 -48.89 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -42.09 -46.81 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -59.65 -39.35 84.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -93.06 14.37 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 52.05 33.28 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.7 m -114.92 15.18 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.535 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.6 pm0 -59.22 -42.55 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 7.0 pt-20 -37.76 -39.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.6 -54.47 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.1 tp -75.45 -34.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 23.2 mt-10 -46.69 -45.18 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 62.8 t80 -64.69 -42.76 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.492 ' CE2' HD13 ' A' ' 23' ' ' LEU . 31.2 t90 -51.26 -47.21 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.39 -35.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.05 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.562 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 86.3 m -71.7 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.4 -33.67 4.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -79.64 -40.1 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.8 t80 -52.15 -39.12 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' LYS . 36.2 mtmt -59.95 -47.21 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' LYS . 45.5 mttm -33.68 -42.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -52.32 147.49 7.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -118.03 -35.8 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.49 165.97 47.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -42.82 3.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -47.28 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -39.14 -52.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.701 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 54.3 mt -53.24 -49.43 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.15 -61.09 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 mp -49.25 -50.74 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -64.16 -43.4 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.89 64.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -63.59 -49.24 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.32 -62.17 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -51.63 -36.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 75' ' ' ILE . 15.5 t80 -55.82 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 41.8 mt-10 -63.46 -0.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 34.9 tttt -90.26 -58.51 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 4.8 m-85 -118.05 -47.33 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.591 HG21 ' CD2' ' A' ' 71' ' ' TYR . 25.8 mm -40.46 -69.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.593 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 2.9 pt20 -57.39 173.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.5 m -101.85 -38.61 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -70.48 17.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -95.97 154.55 38.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.42 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.612 2.208 . . . . 0.0 112.385 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 8.7 mmtp -110.92 17.95 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.88 127.05 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.402 HG23 ' HG ' ' A' ' 85' ' ' LEU . 23.1 m -111.08 175.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -79.87 102.22 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HG ' HG23 ' A' ' 83' ' ' VAL . 17.8 mt -122.77 139.12 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.01 145.37 50.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -50.45 -63.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.1 t60 -41.8 -56.51 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.0 m -50.36 -46.43 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -64.02 -56.67 13.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.8 -46.89 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 88' ' ' HIS . 89.6 t -55.73 -45.34 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ILE . 97.3 mt -68.35 -41.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -54.66 -43.83 72.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -85.4 -25.13 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.7 t -100.46 17.33 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.474 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -75.81 -10.39 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.616 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 23.1 p -102.4 -21.98 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.773 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.1 pt20 -118.02 32.62 0.18 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.2 Cg_endo -69.72 148.41 65.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.9 p -132.02 177.41 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.13 -27.04 66.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.13 17.73 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.9 t -95.2 -68.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.4 m-85 -44.56 -37.68 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' PHE . 2.3 m-20 -35.91 -41.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.34 -60.38 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.09 56.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -45.56 -48.59 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.6 t -50.44 -40.43 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -57.62 -59.85 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 47' ' ' PHE . 60.9 t -59.18 -48.54 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.456 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 23.3 t80 -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' LEU . 37.6 mm-40 -71.67 -56.9 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 114' ' ' GLN . 7.5 mt -33.84 -44.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 112' ' ' VAL . 36.7 mtm -78.35 -56.95 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 42.6 tt0 -45.11 -20.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.7 mm100 -76.98 -69.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' SER . 86.5 m-20 -98.02 -64.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' ASP . 58.8 m -32.02 -51.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 29.3 t80 -62.0 -68.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -66.9 -35.83 80.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 130' ' ' TYR . 32.6 t80 -60.15 -38.03 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.35 -40.76 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -78.9 -17.43 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 p -67.24 137.3 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 131' ' ' LEU . 1.4 t70 -51.29 -48.14 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 35' ' ' PHE . 85.9 mt -38.39 -47.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CD1' ' CE2' ' A' ' 124' ' ' PHE . 55.2 t80 -75.74 -55.3 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 128' ' ' ASP . 38.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.08 -33.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -80.1 -39.83 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.532 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 29.5 m0 -38.24 -54.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -40.24 -40.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' GLY . 24.0 mt-10 -34.46 -56.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -153.39 162.97 40.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.4 t80 -62.21 -39.58 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -55.21 -49.77 71.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -46.34 -49.92 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 32' ' ' PHE . 20.1 tp -54.46 -61.32 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 ' CE2' ' A' ' 19' ' ' PHE . 34.2 mt -51.18 -51.23 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.0 t -34.3 -44.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -89.1 146.76 24.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -63.88 -62.17 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -43.85 -59.76 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.8 -42.95 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 23' ' ' LEU . 58.3 tp -69.33 -43.68 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.316 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.56 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.61 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HD11 ' A' ' 36' ' ' LEU . 46.8 t80 -55.37 -60.51 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 45' ' ' ILE . 54.2 m -39.48 -46.94 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -53.02 -50.46 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 129' ' ' ILE . 35.2 t80 -48.19 -40.98 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 32' ' ' PHE . 40.6 mt -71.0 -56.08 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' A' ' 42' ' ' GLU . 45.0 mttt -38.34 -48.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -56.28 -39.27 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 72.4 mm-40 -93.52 14.2 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 54.03 32.08 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 m -118.03 17.84 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.7 pt-20 -70.52 -35.26 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 1.8 pm0 -40.95 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HG11 ' A' ' 112' ' ' VAL . 94.5 m-20 -68.79 -57.19 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.431 HG21 HG23 ' A' ' 33' ' ' THR . 10.4 tp -70.43 -31.57 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.81 -42.66 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HD2' HG21 ' A' ' 112' ' ' VAL . 60.9 t80 -75.54 -41.12 55.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.52 -41.93 66.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' CYS . 64.1 mt -65.45 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.12 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' ILE . 90.4 m -72.09 -68.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' C ' ' OE1' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -44.65 -30.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 10.6 t70 -91.31 -25.49 19.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' O ' HD22 ' A' ' 102' ' ' LEU . 5.0 ptpp? -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 mtpt -34.96 -36.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 11.9 t -51.94 149.42 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -111.71 -34.78 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.86 169.23 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -42.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.587 2.192 . . . . 0.0 112.367 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.641 ' OE1' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -41.1 -68.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.9 tp-100 -49.21 -51.55 32.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.49 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.3 mt -49.4 -42.55 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -63.04 -50.29 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD21 ' OE1' ' A' ' 61' ' ' GLN . 12.7 mt -56.58 -62.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 60.6 mttt -49.2 -43.74 42.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.7 -53.38 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -64.2 -50.65 67.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 -58.96 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.0 mt -59.31 -39.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 5.4 t80 -51.64 -69.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 27.3 mt-10 -62.3 -0.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.928 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 24.3 tttt -89.66 -57.84 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.8 m-85 -118.02 -39.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 45.9 mm -54.18 -69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 1.5 pt20 -51.91 148.13 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HG3' ' A' ' 82' ' ' GLU . 22.7 m -73.77 -37.27 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 25.1 t70 -74.59 17.93 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -88.52 142.8 31.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.262 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -108.55 17.93 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 1.6 tm-20 -47.16 118.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG23 ' HG ' ' A' ' 85' ' ' LEU . 32.7 m -100.33 176.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -76.99 101.98 6.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 83' ' ' VAL . 78.1 mt -130.93 143.13 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.92 149.01 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -44.68 -59.28 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -40.22 -59.92 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.1 m -48.73 -51.36 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.83 -34.09 75.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' THR . 1.8 tp10 -74.46 -68.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -34.48 -47.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 84.3 mt -63.11 -43.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' GLU . 99.6 m -51.07 -43.81 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -87.05 -28.3 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -94.77 17.46 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.465 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -79.78 -12.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.69 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -106.17 -22.2 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.837 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.4 pt20 -118.03 26.82 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.709 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.837 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.4 Cg_endo -69.74 136.95 34.35 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.619 ' HG1' ' CE1' ' A' ' 103' ' ' HIS . 60.9 p -107.68 179.29 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' LYS . 33.5 mt -57.22 -18.78 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.619 ' CE1' ' HG1' ' A' ' 101' ' ' THR . 6.3 p80 -111.5 17.76 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -61.5 -54.43 43.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -79.12 10.74 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.66 -46.11 91.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -59.31 3.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.62 12.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -52.94 -43.16 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.4 t -60.18 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -50.9 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.617 HG11 ' O ' ' A' ' 44' ' ' ASN . 90.0 t -71.68 -40.6 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -46.26 -49.82 16.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -70.37 -38.52 74.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.554 HD23 ' OE1' ' A' ' 118' ' ' GLN . 7.8 mt -58.12 -25.56 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.423 ' CE ' HD12 ' A' ' 45' ' ' ILE . 63.7 mtm -96.28 -17.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -93.36 -7.23 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.554 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -69.46 -71.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.01 -37.92 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.7 m -48.27 -44.74 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.14 -52.66 38.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.0 p -54.61 -38.68 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -72.84 -43.79 62.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 38.4 t80 -53.33 -39.0 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.4 -33.89 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -101.02 16.48 25.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 p -89.98 162.44 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -78.99 -37.88 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 35' ' ' PHE . 84.3 mt -56.17 -38.8 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -73.86 -47.28 39.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.563 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -41.89 -38.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -75.0 -45.48 41.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.3 m0 -41.08 -47.85 3.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -49.07 -37.54 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' GLY . 38.8 mt-10 -34.97 -47.11 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -157.54 156.59 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.9 t80 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.8 -44.34 90.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -47.87 -44.1 29.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 32' ' ' PHE . 7.3 tp -62.27 -61.51 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 48' ' ' TRP . 41.3 mt -39.26 -47.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -49.32 -42.42 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' HZ2' ' A' ' 15' ' ' TRP . 30.8 t-80 -77.37 135.3 38.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -65.08 -62.29 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.21 -45.18 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -48.32 79.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.551 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.02 -58.57 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.28 -56.15 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.07 -41.08 59.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 74.8 t80 -63.13 -48.96 76.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m -54.1 -44.64 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 34' ' ' ARG . 29.8 mtt85 -51.83 -54.28 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.4 -41.91 14.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 32' ' ' PHE . 27.6 mt -71.86 -43.17 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.85 -46.75 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -57.2 -40.3 77.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -91.81 13.52 18.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 52.05 33.94 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -116.78 16.91 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.8 pp20? -62.45 -40.48 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG3' HG12 ' A' ' 83' ' ' VAL . 16.0 pt-20 -41.18 -36.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -53.64 -54.68 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.1 tp -72.6 -33.99 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.98 -46.19 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.687 ' CD2' HG21 ' A' ' 112' ' ' VAL . 38.1 t80 -63.86 -49.48 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CE2' HD13 ' A' ' 23' ' ' LEU . 42.9 t90 -42.2 -49.07 4.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.25 -42.39 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.38 -28.09 51.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.584 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 50.6 m -75.35 -68.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -43.63 -31.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.97 -34.91 20.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 1.9 t80 -58.02 -39.25 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.83 -45.43 86.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -40.77 -34.51 0.39 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.7 m -53.95 166.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 54.7 pttt -143.28 124.89 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 63' ' ' ILE . . . 103.93 162.85 24.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -69.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -49.36 -58.57 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 59' ' ' GLY . 33.7 mt -45.18 -49.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -56.76 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -49.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -49.58 -46.25 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.83 -54.83 20.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.65 -54.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.87 -66.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 74' ' ' PHE . 94.3 mt -51.6 -41.55 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 1.1 t80 -58.11 -61.33 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 27.7 mt-10 -69.04 -0.1 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 22.5 tttt -96.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.5 m-85 -97.99 -63.45 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 35.7 mm -32.15 -73.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.574 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 pt20 -52.79 155.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -91.87 -33.12 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 17.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -102.94 157.33 33.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -37.36 9.26 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -100.83 17.82 21.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.0 124.35 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.411 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -104.47 179.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.25 108.59 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -121.74 153.15 38.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.1 t70 -61.93 143.18 56.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.91 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.468 ' NE2' HG21 ' A' ' 92' ' ' VAL . 77.9 t60 -52.48 -64.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.3 m -47.11 -41.22 16.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 16.4 tttt -63.3 -51.28 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.9 tp10 -65.16 -60.67 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG21 ' NE2' ' A' ' 88' ' ' HIS . 96.6 t -34.56 -46.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.99 -52.65 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -45.68 -44.42 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -83.48 -34.43 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -88.27 18.02 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.489 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -71.33 -10.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.667 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 t -103.61 -21.18 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.814 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.5 pt20 -118.1 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.66 132.35 23.29 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.3 p -109.39 178.85 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 63' ' ' ILE . 37.5 mt -66.19 -18.99 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -106.11 17.37 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -75.77 -55.03 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HD2' ' CE2' ' A' ' 54' ' ' PHE . 55.2 m-85 -73.79 7.11 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.48 -46.67 63.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.2 -46.73 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.13 94.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -55.54 -40.26 71.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 t -63.83 -38.41 91.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.07 -54.72 43.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 47' ' ' PHE . 95.0 t -61.01 -47.19 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -42.61 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.25 -54.21 32.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 mt -38.69 -42.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.19 -65.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -39.41 -33.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.93 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 -37.73 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.1 m -47.7 -53.23 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.797 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.518 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.6 t80 -65.91 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -41.02 -46.97 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.66 -48.87 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 41.4 t80 -49.24 -28.47 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.518 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 93.7 mt -71.65 -30.31 65.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -107.12 16.81 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' ASP . 64.1 p -90.84 121.57 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.2 m-20 -35.37 -47.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.52 -54.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 130' ' ' TYR . 5.8 t80 -54.64 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.849 0.357 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p -45.68 -36.28 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' TRP . 40.2 mttm -77.1 -49.22 15.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.0 m0 -36.76 -52.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.92 -41.54 6.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLY . 28.2 mt-10 -32.15 -59.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.1 p -151.31 156.68 41.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 23' ' ' LEU . 26.9 t80 -56.74 -39.47 74.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -54.28 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -39.54 -53.49 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -48.58 -50.16 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 19' ' ' PHE . 30.7 mt -61.9 -49.84 74.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -40.28 -43.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -77.35 140.55 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -64.88 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.32 -51.45 34.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.64 -55.56 22.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.454 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 45' ' ' ILE . 45.6 tp -53.57 -53.29 53.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.767 0.317 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -48.07 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.98 35.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 40.9 t80 -55.0 -45.8 75.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -55.66 -50.91 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 34' ' ' ARG . 10.3 mtp180 -43.83 -51.65 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 10.5 t80 -50.05 -41.95 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 34.8 mt -74.53 -43.94 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -46.1 -41.83 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -68.3 -36.29 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -92.31 14.49 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 51.2 34.57 11.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.467 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -109.25 -13.99 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.7 pp20? -41.69 -45.89 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -33.88 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 76.3 m-20 -66.33 -56.84 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 29' ' ' LEU . 8.7 tp -62.26 -29.41 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.0 -43.49 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 24.0 t80 -70.54 -45.19 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 75.5 t90 -50.38 -46.65 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.61 -49.41 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.85 -41.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.423 ' C ' ' HE2' ' A' ' 55' ' ' LYS . 72.0 m -61.51 -59.17 5.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -42.03 -39.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.61 -37.22 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 6.6 t80 -58.13 -44.14 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -67.18 -40.87 86.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -43.9 -30.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.02 151.93 3.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -117.87 -37.3 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.45 163.37 38.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.67 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 4.1 mm-40 -41.02 -70.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.52 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -34.52 -45.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 67.9 mt -62.32 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.0 m-70 -68.62 -41.13 79.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.81 -59.15 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.6 mtmp? -51.3 -48.09 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.89 -53.6 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -58.73 -47.52 84.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -59.97 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.28 -36.62 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.917 ' CE2' HG21 ' A' ' 75' ' ' ILE . 7.7 t80 -57.36 -65.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 21.9 mt-10 -62.69 -0.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.908 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 19.7 tttp -92.77 -54.43 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.5 m-85 -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.917 HG21 ' CE2' ' A' ' 71' ' ' TYR . 45.3 mm -54.79 -69.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.732 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.07 145.2 17.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 23.8 m -70.78 -39.09 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' HE21 ' A' ' 76' ' ' GLN . 32.9 t70 -71.27 18.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.908 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -92.95 143.1 26.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -25.3 28.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.269 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -108.07 17.96 21.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 0.4 OUTLIER -49.55 110.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 27.7 m -94.74 176.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -84.42 108.95 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -124.93 144.69 50.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.9 p-10 -66.06 161.6 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -61.37 -54.03 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -51.34 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.1 m -46.3 -58.91 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 14.2 tttm -47.94 -43.52 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' VAL . 5.1 tp10 -67.64 -63.72 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.4 t -36.08 -44.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 108' ' ' ALA . 87.9 mt -68.75 -45.74 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -51.46 -44.73 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -85.55 -31.41 22.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 22.5 m -93.46 18.02 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.443 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -74.15 -10.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.665 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.8 t -105.98 -17.76 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 20.6 pt20 -117.98 29.39 0.13 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.8 Cg_endo -69.72 154.66 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.465 ' H ' ' CB ' ' A' ' 104' ' ' SER . 61.5 p -136.13 177.93 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.13 -24.85 67.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -104.88 17.96 23.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.465 ' CB ' ' H ' ' A' ' 101' ' ' THR . 4.6 m -85.46 -69.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.3 m-85 -43.21 -34.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' PHE . 24.1 t70 -34.96 -46.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -55.11 -42.11 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -51.23 -42.8 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 t -49.49 -49.81 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -57.27 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.496 HG21 ' CD1' ' A' ' 47' ' ' PHE . 90.4 t -58.57 -43.38 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.27 -46.53 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -72.81 -48.46 37.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.34 -40.39 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 118' ' ' GLN . 70.0 mtm -76.54 -60.7 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 tt0 -45.65 -20.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 116' ' ' MET . 10.4 mm100 -61.77 -69.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.9 -37.87 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 71.5 m -49.88 -50.3 46.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 37.4 t80 -66.27 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -42.49 -47.74 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 mtt180 -63.45 -46.67 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 66.6 t80 -48.32 -40.8 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 74.8 mt -62.34 -35.45 79.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -97.63 14.88 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.3 p -98.2 132.32 43.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -50.03 -46.1 52.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 35' ' ' PHE . 94.8 mt -45.6 -44.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.4 t80 -69.97 -46.08 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 128' ' ' ASP . 13.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.16 -30.96 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -76.8 -39.19 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.8 m0 -39.41 -59.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.08 -35.62 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 16' ' ' GLY . 68.5 mt-10 -32.12 -59.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . 69.5 m -157.13 156.92 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 8.4 t80 -55.45 -40.05 71.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -52.63 -60.81 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 18' ' ' SER . 6.8 mptt -40.43 -53.99 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 48' ' ' TRP . 46.7 mt -58.31 -47.02 85.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 t -43.0 -44.02 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 5.0 t-80 -88.77 140.88 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 2.9 tpm_? -71.14 -57.02 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 5.6 m-20 -41.16 -58.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.8 28.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 45' ' ' ILE . 67.7 tp -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -48.96 -61.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.82 -45.5 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.02 -49.53 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 HG21 ' A' ' 45' ' ' ILE . 16.0 m -51.87 -44.22 63.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 34' ' ' ARG . 5.7 mtp85 -52.66 -48.51 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 129' ' ' ILE . 6.4 t80 -49.52 -43.63 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.13 -46.43 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.81 -47.9 8.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -95.55 12.43 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 52.22 32.03 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.32 16.7 14.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -60.6 -40.62 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -36.5 -34.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 19.7 m-20 -57.67 -49.79 75.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.805 HD11 HD11 ' A' ' 29' ' ' LEU . 8.1 tp -75.41 -30.66 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' OE2' ' A' ' 42' ' ' GLU . 5.0 mm-40 -50.79 -49.97 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 77.0 t80 -62.33 -41.78 98.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.669 ' CE2' HD13 ' A' ' 23' ' ' LEU . 19.0 t90 -56.78 -38.07 71.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.49 -55.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -47.37 -30.31 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' PHE . 36.7 m -69.32 -64.44 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -49.18 -26.16 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.26 -18.27 20.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.733 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -70.14 -48.73 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -70.12 -27.88 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 7.0 mtpm? -48.49 -29.02 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -53.67 166.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 9.1 ptpp? -117.79 -36.84 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -101.82 167.93 18.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.741 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.8 Cg_endo -69.88 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -39.24 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -44.25 -47.99 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 60' ' ' PRO . 62.6 mt -53.09 -52.91 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -53.65 -53.04 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -49.6 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -52.83 -51.06 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -48.07 -58.07 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -51.29 -58.52 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.28 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' A' ' 74' ' ' PHE . 36.9 mt -48.29 -41.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.597 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 1.8 t80 -58.01 -62.36 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.597 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 54.5 mt-10 -66.15 -3.6 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.62 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 9.7 ttpt -93.11 -65.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 1.7 m-85 -97.92 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 85' ' ' LEU . 47.1 mm -35.23 -68.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.1 pt20 -53.58 142.58 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -81.64 171.11 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 77' ' ' THR . 33.3 t70 52.35 32.1 10.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.059 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -105.04 175.96 1.94 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.695 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 1.059 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -37.3 9.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -116.29 17.99 15.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 8.8 pt-20 -52.01 130.01 28.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 81' ' ' LYS . 18.5 m -122.89 171.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -75.94 107.58 8.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 75' ' ' ILE . 26.4 mt -129.81 143.62 50.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -60.45 149.52 33.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.35 -60.93 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.2 t60 -45.07 -53.16 8.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -54.91 -45.44 74.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -62.01 -52.75 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.44 -49.87 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 88' ' ' HIS . 93.4 t -52.16 -47.47 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.57 -41.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 m -57.45 -43.78 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.64 -27.1 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 t -97.11 18.02 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.432 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.7 tp -73.91 -5.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.673 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 24.7 p -107.3 -20.86 13.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 77.6 mt-30 -118.01 28.37 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.76 122.43 9.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.584 2.189 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -97.67 178.52 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 55' ' ' LYS . 78.5 mt -63.75 -30.24 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -97.33 18.02 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -69.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 106' ' ' ASP . 20.2 m-85 -50.28 -34.58 23.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.2 t0 -32.45 -45.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.91 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.7 90.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -50.6 -41.03 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 5.3 t -63.2 -45.5 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 115' ' ' LEU . 89.7 t -56.32 -48.58 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -40.68 -42.52 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 110' ' ' SER . 48.9 mt-30 -73.94 -43.88 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 112' ' ' VAL . 5.5 mt -48.79 -45.05 39.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 120' ' ' SER . 57.4 mtm -73.01 -52.33 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 121' ' ' TYR . 16.2 tp10 -48.41 -17.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 116' ' ' MET . 6.2 mt-30 -63.48 -69.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.89 -38.0 3.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 116' ' ' MET . 2.0 m -49.32 -39.77 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.525 ' CD2' ' OE1' ' A' ' 117' ' ' GLU . 26.2 t80 -74.33 -65.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.9 p -44.55 -43.48 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -65.45 -48.0 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 53.0 t80 -47.65 -50.05 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.06 -24.96 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -100.88 -22.36 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 p -56.51 131.32 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -51.94 -36.64 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 35' ' ' PHE . 91.4 mt -52.27 -41.02 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -73.8 -62.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.876 0.37 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.12 -33.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.65 -43.78 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' N ' ' A' ' 28' ' ' GLY . 43.4 m0 -47.31 -41.76 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.53 -29.34 11.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -44.72 -64.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -144.37 173.0 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -74.92 -36.78 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.62 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -55.39 -42.03 73.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 32' ' ' PHE . 12.5 tp -59.92 -55.96 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 19' ' ' PHE . 36.7 mt -58.66 -53.57 56.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -39.57 -40.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -82.64 148.31 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -77.81 -59.08 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -44.75 -54.03 6.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' N ' ' CH2' ' A' ' 15' ' ' TRP . . . -58.63 -50.76 63.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 HD11 ' A' ' 45' ' ' ILE . 55.5 tp -47.73 -50.15 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.86 -58.79 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.9 -50.45 46.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 34.3 t80 -54.01 -55.41 27.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.3 m -44.42 -48.08 9.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CA ' HD12 ' A' ' 129' ' ' ILE . 19.0 t80 -46.84 -40.62 14.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 13.8 mt -71.88 -45.74 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -44.89 -47.81 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -54.72 -34.51 62.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.53 11.29 38.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 52.28 35.24 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 -4.82 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -40.56 -43.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 10.7 pm0 -34.21 -34.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 51.9 m-20 -57.78 -57.73 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -66.05 -27.36 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.52 -42.62 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.513 ' HD2' HG21 ' A' ' 112' ' ' VAL . 52.7 t80 -70.74 -40.61 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -56.02 -42.37 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.8 mt -69.31 -47.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -41.96 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 47.6 m -56.43 -53.65 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -51.95 -38.46 56.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.45 -22.42 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' ' 51' ' ' CYS . 11.7 t80 -62.83 -46.31 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -61.79 -45.36 94.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' LYS . 29.1 mtpt -33.2 -34.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.7 t -52.1 145.6 10.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -113.81 -37.79 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.77 169.64 30.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.1 Cg_endo -69.78 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -44.15 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.15 -45.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 60' ' ' PRO . 71.6 mt -59.24 -51.65 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -53.52 -53.88 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 65' ' ' LEU . 7.8 mp -55.83 -53.92 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -54.36 -48.99 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.81 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -66.55 -55.49 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 19.5 mt -56.37 -37.91 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 6.1 t80 -55.93 -61.5 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.66 -4.06 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 15.6 tttp -91.72 -68.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 81' ' ' LYS . 1.6 m-85 -98.34 -61.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 38.1 mm -35.83 -67.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.0 pt20 -53.82 138.67 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -77.15 173.31 12.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' ' 77' ' ' THR . 29.1 m-20 50.49 31.94 6.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 168.94 7.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.2 Cg_endo -69.87 -27.14 26.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 29.9 mmtt -118.03 18.0 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 77' ' ' THR . 8.8 tm-20 -52.13 117.55 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 74' ' ' PHE . 28.8 m -109.85 173.78 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -91.61 102.03 14.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.96 151.11 36.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.39 144.94 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.51 -50.21 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -61.39 -64.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -46.62 -42.79 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -64.06 -40.33 96.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 94' ' ' THR . 10.0 tt0 -75.16 -62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.5 p -38.25 -40.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.452 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -69.14 -37.8 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 91' ' ' GLU . 94.6 m -63.56 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -86.15 -21.26 27.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.1 m -107.29 18.04 22.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -70.62 -7.23 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.669 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 31.3 p -104.76 -20.93 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.818 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 15.3 mm-40 -118.06 29.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 p -95.86 174.42 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.64 -29.95 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -95.91 18.11 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 t -79.02 -70.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 13.2 m-85 -51.05 -34.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 32.2 t70 -35.33 -43.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.54 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.84 -48.7 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -46.36 -43.25 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.3 t -59.45 -42.49 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -62.13 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.513 HG21 ' HD2' ' A' ' 47' ' ' PHE . 57.9 t -54.93 -43.32 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -49.62 -48.25 49.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 28.0 mt-30 -64.08 -37.49 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 9.2 mt -65.87 -27.09 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' A' ' 120' ' ' SER . 52.7 mtm -93.76 -12.65 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 6.8 tm-20 -95.88 -17.11 21.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.566 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -57.89 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -35.92 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 116' ' ' MET . 13.1 t -52.81 -32.99 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 5.8 t80 -71.05 -66.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.6 t -56.22 -33.73 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -62.28 -52.03 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 62.9 t80 -45.07 -37.03 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 122' ' ' THR . 11.4 mt -57.75 -43.86 85.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -96.4 17.48 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 p -89.06 138.17 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 131' ' ' LEU . 35.8 t0 -45.15 -46.87 12.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.504 HD12 ' CA ' ' A' ' 35' ' ' PHE . 71.0 mt -50.86 -56.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 130' ' ' TYR . 2.2 t80 -50.91 -43.9 59.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 128' ' ' ASP . 10.0 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.97 -36.02 54.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' GLU . 27.2 mtmt -79.62 -42.69 24.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.2 m0 -36.05 -46.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.71 -42.3 77.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mt-10 -33.51 -63.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.8 p -135.42 151.46 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.85 -34.87 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.36 59.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -40.18 -59.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -41.82 -60.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -53.0 -44.19 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -47.08 -41.78 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.86 132.24 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -59.4 -57.44 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -41.13 -51.09 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.49 -48.82 79.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.17 -49.94 70.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.768 0.318 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.87 -55.91 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.11 80.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 68.3 t80 -54.29 -49.81 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -56.01 -52.44 64.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -45.31 -52.3 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 123' ' ' ARG . 4.5 t80 -49.44 -42.78 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 45' ' ' ILE . 19.0 mt -72.8 -42.85 63.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -44.6 -48.46 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -59.91 -36.42 76.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -89.88 8.94 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 52.79 33.7 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -112.98 -7.2 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pm0 -43.95 -41.22 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -35.65 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.599 ' O ' HG11 ' A' ' 112' ' ' VAL . 50.2 m-20 -66.26 -58.28 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -65.4 -40.46 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 6.2 mt-10 -43.51 -48.08 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HD2' HG21 ' A' ' 112' ' ' VAL . 71.1 t80 -63.44 -44.1 95.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 17.7 t90 -50.05 -40.17 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.86 -55.45 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.88 -43.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.5 m -58.88 -49.34 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 61.3 mm-40 -50.71 -50.34 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.02 -28.78 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 5.5 t80 -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -73.23 -40.58 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -37.58 -33.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -52.33 150.7 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -116.9 -37.8 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.7 165.94 31.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -38.34 -68.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -39.34 -65.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 71.5 mt -35.91 -55.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -53.32 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mp -49.64 -59.31 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -51.45 -42.71 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.82 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -64.41 -58.44 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.28 -54.97 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.66 -37.49 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 75' ' ' ILE . 3.9 t80 -58.04 -60.41 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 54.7 mt-10 -64.84 -3.69 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 tttp -94.06 -58.56 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 15.0 m-85 -108.77 -62.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 71' ' ' TYR . 46.3 mm -32.47 -73.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 2.2 pt20 -52.81 165.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -98.72 -27.75 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.96 17.95 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.87 154.71 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.92 -32.78 17.24 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 22.0 mmtt -103.44 18.06 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.05 128.44 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG2' HH22 ' A' ' 111' ' ' ARG . 32.7 m -114.41 157.47 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.571 ' O ' ' NH2' ' A' ' 111' ' ' ARG . 4.4 m-20 -77.95 102.18 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.824 HD23 ' HE ' ' A' ' 111' ' ' ARG . 15.5 mt -102.99 140.62 37.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' PHE . 1.4 m-20 -52.07 135.24 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -32.48 -51.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -68.23 -57.45 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.493 HG21 HD22 ' A' ' 85' ' ' LEU . 96.8 m -45.52 -35.62 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.61 -49.56 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' THR . 19.4 tt0 -63.25 -59.4 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -40.0 -47.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.57 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 98.1 mt -66.62 -36.6 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLU . 30.0 m -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.196 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -86.23 -16.18 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -109.75 17.93 20.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.448 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -77.0 -7.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.681 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.1 p -106.28 -23.61 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.829 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 7.4 mm100 -118.09 28.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.829 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.74 126.14 12.97 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.407 ' N ' ' HB2' ' A' ' 104' ' ' SER . 60.6 p -97.58 178.27 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.6 -23.53 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -104.72 16.7 25.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 101' ' ' THR . 1.4 t -69.03 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' ASP . 29.4 m-85 -51.13 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 105' ' ' PHE . 3.1 t70 -35.66 -46.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -56.06 27.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -56.46 -47.92 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -48.31 -45.53 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -59.1 -24.61 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.824 ' HE ' HD23 ' A' ' 85' ' ' LEU . 1.9 tmm_? -73.61 -61.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.615 HG22 ' NH1' ' A' ' 111' ' ' ARG . 26.2 t -56.4 -43.08 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -44.86 -39.35 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 115' ' ' LEU . 52.6 mt-30 -75.41 -63.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.755 HD12 ' NH1' ' A' ' 111' ' ' ARG . 6.2 mt -34.09 -38.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' GLN . 78.8 mtm -74.72 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 117' ' ' GLU . 6.4 tm-20 -42.38 -22.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' MET . 36.5 mt-30 -59.1 -70.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -37.69 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' MET . 12.2 m -46.9 -46.71 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' A' ' 125' ' ' LEU . 19.5 t80 -69.23 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.4 p -44.02 -38.39 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 12.8 ttm180 -74.65 -37.2 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 73.4 t80 -62.74 -40.04 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 68.9 mt -59.7 -25.22 64.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -112.85 15.31 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 p -88.18 124.12 33.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -40.15 -41.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -54.46 -54.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -60.57 -42.8 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -73.79 -44.55 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -59.09 -60.68 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.28 128.73 8.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -157.02 115.02 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -128.64 140.48 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.35 92.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 p -102.51 131.61 22.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.71 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -70.94 -36.39 72.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.99 -37.42 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -54.96 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.69 -38.27 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -74.93 -42.1 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.498 ' CZ3' ' HA2' ' A' ' 28' ' ' GLY . 39.4 m0 -45.21 -39.77 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -55.26 -33.68 58.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.1 mm-40 -35.74 -48.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -162.93 157.13 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 24.0 t80 -57.29 -47.65 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -53.08 -51.24 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -43.87 -48.41 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.2 tp -57.52 -51.91 67.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 30.6 mt -57.93 -50.2 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -37.24 -43.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -92.16 140.11 29.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -63.83 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -43.92 -57.46 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.94 -55.53 17.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.411 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 23' ' ' LEU . 58.6 tp -54.12 -58.84 5.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.13 60.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.708 ' HB2' HD21 ' A' ' 22' ' ' LEU . 16.6 t80 -55.21 -47.47 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.545 HG23 HG21 ' A' ' 45' ' ' ILE . 87.5 m -59.38 -47.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.204 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -45.16 -50.3 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 123' ' ' ARG . 4.1 t80 -51.87 -44.63 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.7 mt -69.27 -43.29 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 54.2 mttt -48.6 -46.1 38.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -61.96 -34.98 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -93.76 13.69 21.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 52.16 34.73 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 -13.99 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' ILE . 3.1 pm0 -40.65 -34.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 16.0 pt-20 -39.98 -38.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -59.94 -57.15 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.0 tp -61.88 -31.93 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.41 -42.11 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HD2' HG21 ' A' ' 112' ' ' VAL . 40.7 t80 -69.98 -45.68 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.628 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 29.3 t90 -52.39 -39.69 61.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' CYS . 15.4 mt -66.86 -66.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.0 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ILE . 94.5 m -68.3 -67.12 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 1.1 pp20? -42.77 -32.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -83.98 -36.22 23.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 t80 -53.22 -41.82 65.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 52' ' ' GLU . 7.6 mtmp? -61.25 -30.79 70.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -79.7 14.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -71.3 157.03 38.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -121.31 123.71 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.66 171.5 30.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 Cg_endo -69.75 -36.06 11.51 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 65' ' ' LEU . 6.6 tp60 -52.08 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -47.5 -46.88 27.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.487 HG23 ' CE1' ' A' ' 54' ' ' PHE . 31.3 mt -58.73 -44.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.47 -52.3 53.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.8 mp -54.92 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -52.85 -43.0 65.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -56.74 -57.14 13.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -53.28 -49.91 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -57.76 -66.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.437 HG23 ' CD1' ' A' ' 74' ' ' PHE . 57.5 mt -50.35 -38.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.498 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -59.63 -64.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.597 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 36.8 mt-10 -68.14 0.67 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 21.0 tttp -97.06 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 7.6 m-85 -98.03 -62.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 40.4 mm -31.93 -68.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.672 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 pt20 -56.81 152.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 79' ' ' ALA . 6.8 m -91.03 -31.98 16.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 15.9 t0 -73.17 17.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -104.79 161.48 22.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.74 -46.06 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -90.2 17.99 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 118.21 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.2 m -101.04 171.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -77.1 104.45 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.548 ' HG ' HG23 ' A' ' 83' ' ' VAL . 69.0 mt -126.59 160.92 29.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.22 143.62 47.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.91 -57.2 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -52.15 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.1 m -42.54 -40.54 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.37 -44.73 62.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.76 -62.11 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.8 -47.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.563 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 95.1 mt -65.02 -43.73 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.8 m -54.03 -41.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -85.52 -33.83 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.8 t -91.89 17.3 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.3 tp -66.86 -12.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.645 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.7 t -104.49 -15.99 15.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.797 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 80.0 mt-30 -117.99 30.41 0.15 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.87 148.83 65.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.6 p -134.2 177.75 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.18 -29.6 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -98.42 17.45 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -93.59 -63.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 8.1 m-85 -52.3 -38.08 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 17.9 t70 -32.79 -42.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.91 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.86 -48.23 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -49.56 -41.17 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -54.91 -56.29 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 47' ' ' PHE . 98.0 t -65.82 -53.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -39.18 -40.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -75.91 -53.44 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.2 mt -37.82 -49.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.468 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 35.6 mtm -69.42 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.2 tm-20 -43.37 -26.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -74.13 -67.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 120' ' ' SER . 72.8 m-20 -98.02 -66.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ASP . 55.9 m -31.95 -60.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -51.61 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.9 p -46.22 -58.11 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 23.2 tpp85 -53.98 -40.67 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 25.5 t80 -61.36 -40.22 93.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.13 -36.19 63.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -95.5 17.91 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.4 p -91.33 144.12 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.61 -52.83 35.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -43.8 -48.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 133' ' ' LEU . 65.1 t80 -66.2 -66.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' TYR . 28.7 mt -33.83 -60.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' LEU . 28.0 t70 -35.09 -46.97 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 130' ' ' TYR . 19.5 mt -39.24 -48.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.431 ' HE3' ' HB3' ' A' ' 134' ' ' MET . 0.0 OUTLIER -94.85 -38.33 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' GLY . 1.6 m 51.94 39.31 25.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 135' ' ' SER . . . -35.38 147.11 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.25 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 t -148.9 128.69 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.8 t -95.89 176.57 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -71.83 -53.6 12.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -67.41 130.19 42.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.92 -49.89 0.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -107.72 166.52 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -103.05 113.84 27.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.34 173.53 54.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -132.45 137.96 31.09 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.672 0.748 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.7 2.267 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -90.37 -40.06 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.58 -50.06 8.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -49.22 -43.56 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.6 -40.09 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -72.58 -43.06 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.2 m0 -44.35 -49.4 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.91 -38.65 65.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLY . 16.0 mm-40 -37.8 -46.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 t -160.83 162.36 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 29.7 t80 -62.37 -40.51 96.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.45 -42.98 99.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -52.67 -45.85 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 7.3 tp -60.96 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 19' ' ' PHE . 38.0 mt -57.81 -49.34 76.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -37.88 -48.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CB ' ' HE1' ' A' ' 15' ' ' TRP . 43.1 t-80 -87.13 136.62 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -64.21 -59.29 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.92 -54.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.98 -42.71 99.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.56 -48.85 80.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -49.98 -56.67 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.18 -42.18 50.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 41.6 t80 -58.15 -62.14 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 m -43.13 -45.07 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -50.43 -60.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.24 -45.46 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 36.2 mt -67.8 -46.69 71.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -44.36 -49.19 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -55.89 -39.6 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.64 13.26 22.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 52.44 37.01 21.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -116.53 13.2 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.2 pm0 -61.12 -40.56 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' HG12 ' A' ' 83' ' ' VAL . 17.0 pt-20 -39.51 -41.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -52.33 -53.24 46.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -71.63 -35.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.32 -42.98 43.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.7 ' CD2' HG21 ' A' ' 112' ' ' VAL . 18.3 t80 -66.24 -41.59 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -57.52 -42.2 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.06 -53.1 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.53 -43.79 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 93.4 m -51.67 -53.46 38.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -52.01 -48.16 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.8 -39.5 94.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 45.4 t80 -59.18 -42.45 90.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HA ' HD22 ' A' ' 102' ' ' LEU . 47.9 mtmt -64.46 -44.73 90.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -38.87 -37.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t -52.43 148.92 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -113.89 -38.05 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.63 166.0 30.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.84 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.7 Cg_endo -69.96 -35.45 12.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -44.28 -67.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -48.44 -49.33 35.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 60' ' ' PRO . 46.4 mt -48.71 -41.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -70.51 -58.42 3.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.8 mp -54.45 -60.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -52.13 -44.81 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -46.02 -56.5 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.23 -61.74 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.18 -58.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.482 HG23 ' HD2' ' A' ' 74' ' ' PHE . 45.1 mt -63.29 -40.97 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -57.16 -60.62 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 62.5 mt-10 -66.19 -1.52 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttm -96.41 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.4 m-85 -98.08 -62.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 49.9 mm -32.03 -72.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.4 pt20 -54.47 158.95 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.49 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.5 m -94.52 -31.95 13.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 14.6 t0 -72.15 18.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.88 156.59 35.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.4 Cg_endo -69.76 -32.21 19.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.56 18.03 22.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.03 119.71 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.3 m -104.44 175.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.665 ' OD1' HD13 ' A' ' 115' ' ' LEU . 1.9 p30 -77.72 107.0 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 75' ' ' ILE . 41.8 mt -129.3 154.13 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.31 147.58 53.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -55.89 -53.44 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -56.17 -43.42 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.084 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -69.89 -43.56 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.49 -58.9 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -42.85 -47.34 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.222 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.569 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -64.35 -42.32 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.5 m -52.51 -41.81 63.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.38 -35.18 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -91.13 18.04 7.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.454 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -69.29 -9.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.696 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.1 t -106.64 -15.5 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.835 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 mm100 -118.03 27.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.835 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.7 Cg_endo -69.74 149.41 67.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -133.86 177.86 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 55' ' ' LYS . 78.9 mt -66.82 -27.08 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -100.75 17.96 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.1 m -89.77 -66.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 106' ' ' ASP . 9.2 m-85 -47.82 -37.09 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.8 t70 -32.37 -45.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.85 -56.37 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.77 93.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -54.0 -43.23 69.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -60.15 -38.51 83.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -57.7 -60.57 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.7 HG21 ' CD2' ' A' ' 47' ' ' PHE . 83.9 t -62.31 -51.85 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -40.9 -51.04 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 115' ' ' LEU . 26.4 mm100 -66.16 -56.79 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 ' OD1' ' A' ' 84' ' ' ASN . 5.7 mt -35.21 -50.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.498 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 57.9 mtm -66.57 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 32.8 tt0 -39.95 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' MET . 53.5 mm-40 -69.88 -66.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' SER . 2.1 m-20 -98.0 -63.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 3.0 m -32.04 -56.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.456 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 33.9 t80 -57.11 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.7 p -42.12 -45.34 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.11 -34.13 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.06 -43.55 82.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.62 -36.48 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.71 15.85 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.4 p -90.31 129.83 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.39 -40.59 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.6 -51.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.733 ' HA ' HD23 ' A' ' 133' ' ' LEU . 6.5 t80 -62.19 -62.07 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt -51.05 -31.1 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.68 -58.65 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -39.65 -37.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 135' ' ' SER . 3.4 ptp -91.55 -35.61 14.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 134' ' ' MET . 6.8 t 53.21 42.63 32.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.87 143.79 18.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 121.86 8.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.7 m -78.59 132.51 37.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 t -88.91 -62.3 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -71.99 -59.46 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -107.13 125.44 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.39 99.51 0.32 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -129.79 139.17 51.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -54.46 -45.22 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 119.58 0.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -107.14 142.47 25.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.716 0.77 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 5.1 tp10 -82.92 -36.09 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 23.4 pt-20 -87.52 -52.56 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' GLU . . . -41.2 -43.78 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.725 HG13 ' HD3' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -51.98 -38.4 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.725 ' HD3' HG13 ' A' ' 13' ' ' VAL . 4.4 mmtp -77.04 -45.48 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CD2' HD12 ' A' ' 22' ' ' LEU . 52.3 m0 -42.84 -41.6 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -57.19 -35.58 71.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLY . 6.2 mm-40 -34.12 -59.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -157.65 148.0 20.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 33.4 t80 -42.41 -49.47 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -56.1 -43.15 77.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -42.05 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 15' ' ' TRP . 8.3 tp -62.81 -59.17 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 19' ' ' PHE . 19.7 mt -48.09 -50.31 28.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.1 t -37.32 -42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 19.7 t-80 -84.12 139.52 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -70.53 -53.7 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 m-20 -51.78 -49.95 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.503 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -63.51 -45.39 94.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.489 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.9 -45.41 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.15 -47.02 79.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.51 92.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 36' ' ' LEU . 85.6 t80 -53.51 -60.04 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.534 HG22 ' CG ' ' A' ' 37' ' ' LYS . 92.4 m -41.03 -53.86 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.181 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' PHE . 95.6 mtt180 -39.82 -64.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' HD12 ' A' ' 129' ' ' ILE . 17.2 t80 -37.5 -43.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mt -74.27 -46.85 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.534 ' CG ' HG22 ' A' ' 33' ' ' THR . 20.6 mtpt -47.06 -45.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -59.33 -37.77 78.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -95.13 14.24 22.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 52.44 34.28 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -109.17 -9.72 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.46 -43.18 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.533 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.3 pt-20 -33.92 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.549 ' HA ' HG11 ' A' ' 83' ' ' VAL . 10.6 m-20 -63.02 -58.64 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -65.48 -37.93 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -47.69 -43.46 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 75' ' ' ILE . 82.1 t80 -68.93 -44.8 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 43.6 t90 -51.2 -47.35 62.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.62 -53.71 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.82 -41.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.56 -56.17 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.3 mm-40 -46.83 -45.48 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.03 -26.31 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 7.7 t80 -63.22 -48.07 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 1.4 ptpm? -64.26 -38.69 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 54.4 mttp -38.15 -34.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.22 154.34 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -117.36 -37.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.59 163.84 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.592 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.82 -51.24 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.545 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tp-100 -39.01 -65.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -45.97 -44.33 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 60' ' ' PRO . 61.7 mt -60.34 -51.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.12 -40.27 80.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.7 mp -69.27 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.7 mtmp? -53.36 -41.6 65.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.41 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.77 -51.4 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.5 mt -52.19 -41.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.45 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 3.9 t80 -50.27 -68.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 37.5 mt-10 -63.74 -4.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 39.9 tttt -82.5 -67.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -110.52 -49.04 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 46.9 mm -43.08 -66.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 4.4 pt20 -58.94 144.63 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -78.3 177.97 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 77' ' ' THR . 5.6 m-20 47.39 32.09 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.856 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.57 169.55 7.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.856 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.75 -31.54 20.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.609 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.4 mmtp -117.99 17.4 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -51.98 134.18 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' HG ' ' A' ' 85' ' ' LEU . 35.4 m -124.19 165.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -70.76 103.33 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 83' ' ' VAL . 85.8 mt -130.81 149.0 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.8 151.53 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -56.62 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.39 -41.3 13.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -63.04 -38.83 92.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.03 -39.71 60.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.79 -58.95 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.2 p -43.66 -46.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.556 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 93.1 mt -67.4 -42.41 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.6 m -55.98 -38.27 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -87.92 -33.01 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -91.06 17.96 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.449 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -71.81 -7.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.676 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.2 t -106.26 -20.79 13.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.822 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 25.4 pt20 -117.98 28.85 0.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.86 140.31 41.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.1 p -113.56 178.34 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 55' ' ' LYS . 86.6 mt -58.25 -18.47 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.22 18.04 20.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 t -61.45 -51.34 69.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -81.37 15.37 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.46 -51.87 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.81 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -47.0 -42.66 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -59.27 -39.82 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.424 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -61.33 -55.53 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 115' ' ' LEU . 87.6 t -60.01 -55.84 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t80 -36.32 -45.73 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' LEU . 17.3 mm-40 -70.51 -52.44 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 112' ' ' VAL . 4.1 mt -36.37 -43.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.448 ' CA ' ' HB3' ' A' ' 120' ' ' SER . 75.5 mtm -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 24.2 tt0 -46.79 -22.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -62.41 -69.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.86 -37.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.448 ' HB3' ' CA ' ' A' ' 116' ' ' MET . 32.8 t -49.86 -61.15 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.8 t80 -49.33 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -49.55 -35.61 20.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 123' ' ' ARG . 10.8 ttm-85 -70.66 -46.69 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.15 -37.89 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 71.2 mt -59.36 -43.0 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -97.79 16.52 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.4 p -87.78 152.52 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.72 -50.23 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' PHE . 90.9 mt -46.76 -47.19 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.795 ' HA ' HD23 ' A' ' 133' ' ' LEU . 91.0 t80 -67.56 -61.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.03 -30.74 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.44 -55.6 4.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -44.57 -33.72 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 135' ' ' SER . 4.5 ptp -94.04 -34.51 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 134' ' ' MET . 5.3 t 52.27 43.49 30.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -135.74 -160.35 8.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 128.65 16.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.8 p -62.8 144.07 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -52.11 56.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -79.99 109.12 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -117.73 134.08 55.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.795 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.48 89.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 144.93 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -93.26 -58.23 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.23 165.9 13.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -120.43 156.12 55.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' O ' HG12 ' A' ' 13' ' ' VAL . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.52 -37.18 71.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.2 -45.79 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.535 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -55.53 -56.23 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 9' ' ' PRO . 5.0 p -45.09 -39.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -72.74 -45.65 57.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.4 m0 -41.11 -42.38 1.99 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -56.74 -37.57 77.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLY . 33.5 mm-40 -37.81 -57.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -149.42 150.04 31.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.68 -26.86 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.35 -54.69 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -46.63 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.58 -47.63 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.0 mt -65.06 -53.2 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LEU . 8.1 t -34.4 -44.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -83.13 150.97 25.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -77.92 -57.48 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.71 -52.27 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.14 96.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 tp -64.47 -54.28 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.706 0.288 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.71 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.12 -54.71 22.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.618 ' CE2' HD11 ' A' ' 36' ' ' LEU . 63.7 t80 -41.23 -50.98 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' CG ' ' A' ' 37' ' ' LYS . 96.2 m -51.75 -60.92 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' THR . 47.4 mtm-85 -37.79 -54.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 4.9 t80 -47.86 -43.98 28.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.618 HD11 ' CE2' ' A' ' 32' ' ' PHE . 12.5 mt -72.83 -45.15 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' CG ' HG22 ' A' ' 33' ' ' THR . 9.3 mtpt -44.04 -49.76 8.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -58.44 -38.98 78.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -92.09 13.91 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 52.12 33.62 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.8 m -106.54 -11.0 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 pp20? -44.04 -43.6 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.1 pt-20 -37.12 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.0 m-20 -72.66 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 32' ' ' PHE . 9.1 tp -66.42 -33.0 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' ' OE1' ' A' ' 42' ' ' GLU . 7.9 mt-10 -47.02 -43.96 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -70.22 -45.56 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.439 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.9 t90 -46.34 -46.77 18.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.06 -47.85 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.43 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.55 -50.43 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 15.5 mm-40 -55.8 -54.64 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -60.86 -33.47 73.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 22.5 t80 -60.12 -34.05 72.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' LYS . 42.8 mtmt -68.89 -44.9 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 36.4 mttm -37.27 -39.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 m -52.31 144.28 13.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.31 -33.75 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 58' ' ' LYS . . . -86.03 164.87 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.72 -51.77 0.37 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -40.87 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.43 -53.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 60' ' ' PRO . 70.3 mt -48.23 -54.09 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -59.74 -53.67 55.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -49.52 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -58.03 -55.06 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.3 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -63.86 -50.59 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -59.05 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.86 -36.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.62 ' HD2' HD13 ' A' ' 97' ' ' ILE . 8.0 t80 -56.92 -68.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 48.3 mt-10 -63.89 -0.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.831 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 36.2 tttt -92.64 -53.2 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 9.2 m-85 -118.07 -45.28 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 71' ' ' TYR . 44.5 mm -50.93 -69.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 1.6 pt20 -52.0 147.5 7.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.4 m -75.1 -37.23 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -72.78 17.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -90.55 145.77 33.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.564 0.697 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.55 30.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.591 2.194 . . . . 0.0 112.305 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -115.46 18.03 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 2.9 pp20? -50.44 115.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.32 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 104.65 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 75' ' ' ILE . 21.4 mt -126.54 139.92 52.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.18 144.29 57.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -45.13 -53.98 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -53.78 -55.69 24.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.1 m -49.09 -43.12 40.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -69.45 -44.66 70.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 40.2 tt0 -64.01 -64.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -38.71 -47.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 91.9 mt -66.07 -36.96 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 88.2 m -55.0 -43.41 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -86.42 -33.5 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 t -90.02 18.03 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.62 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -74.24 -13.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -106.67 -16.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 30.3 mm-40 -118.01 27.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.8 157.22 61.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.739 2.293 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 p -133.33 176.98 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.9 -23.41 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -104.92 17.08 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.2 t -86.62 -70.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASP . 18.2 m-85 -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' PHE . 8.7 t70 -37.28 -41.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.06 14.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.14 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -50.99 -48.06 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 t -55.89 -40.14 72.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -53.8 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.28 -50.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -43.28 -47.11 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 54.1 mm-40 -69.15 -50.11 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.3 -49.66 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.466 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 53.9 mtm -64.41 -61.48 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -38.98 -29.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.6 mt-30 -53.22 -70.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.99 -37.72 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.466 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 67.4 m -47.63 -50.68 23.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.75 -59.62 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -49.77 -34.77 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 10.3 ttm180 -72.66 -49.66 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 58.7 t80 -51.78 -27.68 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.17 -30.27 63.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -103.12 16.96 25.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' ASP . 68.2 p -95.5 120.36 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.731 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -34.65 -41.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.22 -56.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.551 ' HA ' HD12 ' A' ' 133' ' ' LEU . 16.5 t80 -68.89 -43.41 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 128' ' ' ASP . 95.5 mt -45.59 -34.54 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' LEU . 15.2 t70 -72.38 -48.64 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 130' ' ' TYR . 10.8 mt -38.07 -45.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 135' ' ' SER . 8.2 ptp -92.37 -36.36 13.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 134' ' ' MET . 83.4 p 52.32 41.1 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' SER . . . -101.52 179.59 28.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 11.54 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 136' ' ' GLY . 7.6 t -82.65 17.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.1 m -92.86 -49.5 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -68.53 -59.41 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -148.19 156.36 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 112.26 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -98.35 18.05 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -93.76 -56.14 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.79 -139.91 15.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -157.2 114.27 1.93 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 110.865 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.53 30.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.713 2.275 . . . . 0.0 112.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.4 -38.19 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -77.67 -37.14 50.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HB1' ' CE ' ' A' ' 134' ' ' MET . . . -54.05 -55.58 26.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.91 -35.72 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 52.4 mttt -73.84 -47.89 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -38.59 -53.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -44.18 -36.92 4.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' GLY . 35.3 mt-10 -33.58 -54.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -164.27 159.44 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 3.9 t80 -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.87 -45.6 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -54.09 -41.42 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.6 -61.17 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.17 -45.9 61.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -48.14 -42.01 28.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -80.89 146.62 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -55.42 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -53.15 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.63 -47.19 58.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.3 -54.44 37.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.325 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -48.92 -59.94 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.15 79.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 23.3 t80 -54.04 -49.63 68.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 92.4 m -50.81 -51.14 53.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -42.58 -61.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HA ' HD12 ' A' ' 129' ' ' ILE . 3.0 t80 -39.83 -43.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.639 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 47.1 mt -72.49 -49.44 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 33' ' ' THR . 20.4 mttt -43.3 -46.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -38.99 82.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -96.01 15.72 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.97 34.04 12.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.462 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -104.11 -11.61 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.3 pp20? -42.67 -46.5 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -34.47 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-20 -65.01 -58.95 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -64.22 -35.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -51.84 -46.1 64.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 89.6 t80 -65.36 -41.74 93.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -52.63 -46.57 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.35 -53.84 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.39 -25.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 54' ' ' PHE . 81.4 m -78.59 -69.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -44.89 -24.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.93 -29.26 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -62.58 -36.62 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LYS . 16.7 ptpt -75.37 -37.34 60.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.5 mtpp -37.98 -37.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.12 155.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 -37.17 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.6 165.04 23.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.54 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.84 -42.88 2.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.92 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.5 tp-100 -48.73 -45.17 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.766 HD11 HD21 ' A' ' 102' ' ' LEU . 95.0 mt -54.7 -43.34 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -63.44 -49.52 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.62 -61.1 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 69.2 mttt -54.79 -56.42 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.67 -55.2 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.39 -56.82 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.435 HG23 ' CE1' ' A' ' 74' ' ' PHE . 25.5 mt -49.11 -42.56 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 2.1 t80 -53.88 -66.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -64.01 -4.37 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 19.7 tttt -88.71 -69.48 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.02 -62.11 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' PHE . 43.5 mm -34.18 -67.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.497 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.6 pt20 -53.19 140.08 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -78.54 172.02 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.641 ' H ' HG22 ' A' ' 77' ' ' THR . 0.9 OUTLIER 51.2 32.14 7.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.906 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 171.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.906 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 55.0 Cg_endo -69.71 -31.82 20.0 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.2 mmtp -117.99 16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 3.0 pp20? -52.04 114.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.61 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.9 m -100.7 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -72.08 104.49 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' A' ' 83' ' ' VAL . 72.0 mt -136.7 141.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.05 140.61 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -43.84 -46.42 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -50.36 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.2 m -43.36 -47.39 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -61.35 -48.98 78.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -54.39 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -49.71 -46.22 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.34 -43.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.5 m -53.33 -44.37 68.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -84.22 -33.12 24.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 t -92.41 18.04 9.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.472 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -69.43 -11.0 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.659 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -104.07 -19.9 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.812 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 31.5 mt-30 -118.06 29.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.1 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.274 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -97.82 177.83 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.766 HD21 HD11 ' A' ' 63' ' ' ILE . 96.7 mt -69.86 -29.74 67.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -98.6 17.9 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -79.24 -70.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASP . 19.4 m-85 -44.87 -30.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -36.83 -41.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.11 77.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -50.59 -39.65 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t -55.9 -55.26 34.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -43.36 -60.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.612 HG12 ' HE2' ' A' ' 116' ' ' MET . 76.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -41.7 -40.65 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -77.31 -51.74 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 7.1 mt -51.65 -34.32 37.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.612 ' HE2' HG12 ' A' ' 112' ' ' VAL . 62.3 mtm -80.18 -55.04 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 121' ' ' TYR . 37.6 tt0 -51.53 -16.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 115' ' ' LEU . 4.5 pt20 -102.71 -38.12 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.418 ' OD1' ' HD3' ' A' ' 123' ' ' ARG . 4.4 t0 -98.07 -70.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 36' ' ' LEU . 3.4 p -48.51 -45.09 36.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 125' ' ' LEU . 26.7 t80 -62.47 -67.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 p -39.65 -52.34 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 36.6 mtp180 -67.1 -48.84 66.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.72 -50.8 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 121' ' ' TYR . 87.5 mt -54.26 -35.32 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -103.5 17.5 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -91.47 136.91 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -45.28 -55.26 6.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 133' ' ' LEU . 75.0 mt -41.63 -52.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.461 ' O ' ' SD ' ' A' ' 134' ' ' MET . 28.2 t80 -63.29 -58.83 5.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.3 mt -53.5 -22.0 7.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 133' ' ' LEU . 19.1 t70 -72.7 -56.85 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 129' ' ' ILE . 1.7 mp -34.92 -51.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.528 ' CE ' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -89.06 -33.55 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.486 ' N ' ' HG2' ' A' ' 134' ' ' MET . 13.7 t 63.69 45.99 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -138.82 149.9 20.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 127.38 14.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.381 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.9 p -100.21 128.76 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.7 m -105.36 145.54 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -45.5 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -59.19 -46.93 87.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.79 83.43 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.539 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 p -89.99 -45.83 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -50.04 -45.34 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.792 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.6 166.14 19.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 t -116.14 130.2 24.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.723 0.773 . . . . 0.0 110.777 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.03 32.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 13' ' ' VAL . 39.7 tt0 -76.16 -42.6 46.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -39.31 54.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -54.82 -52.48 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 10' ' ' GLU . 4.3 p -53.42 -31.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 17' ' ' GLU . 39.9 mttm -78.8 -48.67 14.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.626 ' HZ3' HD21 ' A' ' 133' ' ' LEU . 53.7 m0 -37.8 -43.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.56 -41.45 73.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LYS . 22.6 mt-10 -38.04 -64.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -141.29 153.17 45.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.4 t80 -60.41 -40.67 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -57.03 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -40.0 -47.75 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 15' ' ' TRP . 6.1 tp -55.38 -58.95 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.27 -50.01 65.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -39.47 -47.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.91 148.47 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -77.35 -55.25 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.93 -52.31 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.51 -54.35 37.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HD11 ' A' ' 45' ' ' ILE . 56.2 tp -46.57 -54.68 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -49.74 -55.0 15.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.11 78.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.682 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 25.2 t80 -52.88 -48.26 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.5 m -52.6 -53.08 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -38.75 -54.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 129' ' ' ILE . 26.8 t80 -48.68 -43.15 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 14.8 mt -72.59 -46.99 51.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' A' ' 33' ' ' THR . 22.7 mtpt -41.84 -41.62 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -65.2 -36.15 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt-10 -94.56 11.5 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 52.04 33.32 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -107.8 -17.7 14.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.5 pp20? -39.06 -42.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 83' ' ' VAL . 11.1 pt-20 -33.41 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' GLU . 75.9 m-20 -63.41 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.4 tp -60.2 -29.84 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.89 -45.26 71.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 44.0 t80 -68.5 -46.81 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 13.8 t90 -51.26 -37.51 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 HD21 ' A' ' 29' ' ' LEU . 14.2 mt -71.11 -55.05 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.35 -36.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 92.8 m -60.77 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -44.34 -37.69 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -82.49 -34.25 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.8 t80 -58.79 -46.21 88.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.37 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.64 -31.03 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 m -56.09 144.57 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 107.12 14.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.99 162.21 11.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.5 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 65' ' ' LEU . 9.2 tm0? -38.41 -70.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -43.37 -52.96 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 66.8 mt -48.77 -54.23 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -51.05 -51.45 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' OE1' ' A' ' 61' ' ' GLN . 22.1 mt -52.4 -67.03 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -53.53 -58.08 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -38.86 -45.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -62.82 -53.07 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -58.56 -62.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.7 mt -49.78 -39.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -59.46 -66.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 21.6 mt-10 -66.96 -1.16 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 73.0 tttt -92.64 -62.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 5.5 m-85 -104.04 -63.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.536 HD13 ' CD1' ' A' ' 85' ' ' LEU . 48.3 mm -32.05 -71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.7 pt20 -55.88 156.13 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.0 m -91.0 -30.36 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 16.9 t70 -72.81 18.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -104.8 156.86 35.35 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 52.7 Cg_endo -69.81 -40.38 5.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -95.67 17.89 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -52.0 121.9 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -105.0 176.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -82.09 104.38 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.536 ' CD1' HD13 ' A' ' 75' ' ' ILE . 27.1 mt -126.51 146.91 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.21 142.68 46.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 4.3 t80 -50.26 -54.55 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -53.37 -61.86 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -42.89 -42.13 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.54 -51.9 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -56.6 -50.25 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -51.58 -43.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 75' ' ' ILE . 95.6 mt -68.38 -43.05 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -54.27 -42.08 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -87.51 -32.91 19.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -91.16 18.12 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -73.29 -9.79 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.687 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -105.07 -19.73 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 46.9 mt-30 -118.0 27.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.83 135.36 30.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.7 p -107.35 175.41 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.86 -24.24 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -105.16 18.03 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -61.56 -60.74 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' ASP . 65.6 m-85 -68.2 -27.13 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.6 t0 -32.97 -44.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.94 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.62 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 48' ' ' TRP . 22.6 tt0 -51.31 -43.56 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.3 t -48.16 -46.76 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' PHE . 65.5 t -51.05 -51.13 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -45.3 -45.53 12.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 84' ' ' ASN . 3.6 mt -43.95 -37.98 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' GLN . 37.7 mtm -75.65 -69.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 12.4 tt0 -37.95 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 116' ' ' MET . 24.3 mm-40 -41.81 -70.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -117.97 -34.42 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.661 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -50.88 -49.32 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 19.4 t80 -69.46 -66.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.0 p -44.25 -46.45 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -69.87 -50.09 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 64.4 t80 -42.43 -40.73 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.75 -36.66 72.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -101.16 16.69 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.2 p -89.91 141.75 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 128' ' ' ASP . 7.9 t0 -57.47 -46.22 83.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -47.5 -52.49 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.2 t80 -59.45 -49.35 78.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.7 mt -63.7 -26.71 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.77 -59.46 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -43.31 -36.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 135' ' ' SER . 2.1 ptp -89.11 -33.06 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.1 p 47.37 40.36 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.82 -171.54 12.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 161.0 47.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.597 2.198 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.5 m -136.0 171.51 14.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -84.07 146.18 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.41 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -126.52 142.96 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -165.76 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.36 -82.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.412 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -94.45 171.71 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -88.21 170.12 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.74 77.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.8 p -94.91 142.68 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 0.0 110.793 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -28.41 25.4 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -55.75 -40.38 72.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -79.99 -41.7 25.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -49.04 -53.06 21.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.32 -36.01 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' TRP . 35.3 mttt -73.34 -50.26 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 50.9 m0 -36.85 -59.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -37.98 -39.87 0.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.545 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 40.0 mt-10 -35.1 -67.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -137.82 150.48 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.0 t80 -62.73 -28.78 70.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -67.21 -48.92 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 48.6 mttt -49.6 -40.71 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.82 -55.99 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 19' ' ' PHE . 74.4 mt -49.81 -53.55 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -44.24 -42.91 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 8.0 t-160 -73.58 143.67 46.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -78.1 -67.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.568 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 2.5 m-20 -41.7 -54.13 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.02 98.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 45' ' ' ILE . 65.0 tp -57.43 -40.99 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.3 -61.71 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.52 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 28.1 t80 -55.13 -49.16 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.5 m -53.28 -51.67 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -44.83 -60.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 129' ' ' ILE . 41.6 t80 -39.49 -41.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 26.7 mt -74.15 -45.35 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.03 -46.55 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -61.43 -37.08 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.55 12.98 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 52.07 34.38 13.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -108.98 -11.6 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -45.24 -38.38 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -39.58 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-20 -74.29 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 29' ' ' LEU . 6.7 tp -65.56 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -50.4 -40.82 50.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t80 -72.62 -41.14 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.3 t90 -51.82 -43.7 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 59.6 mt -68.16 -53.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.04 -41.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' PHE . 75.2 m -59.47 -62.76 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.8 mm-40 -36.26 -51.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.39 -36.31 74.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 19.6 t80 -55.69 -33.71 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 102' ' ' LEU . 6.1 mttm -72.6 -29.58 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -83.02 17.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -71.04 164.45 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -126.94 132.93 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.14 167.03 3.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.69 29.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 65' ' ' LEU . 21.3 tp60 -63.78 -59.43 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -46.13 -48.56 17.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 21.7 mt -58.67 -47.5 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -58.85 -42.87 90.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 61' ' ' GLN . 10.0 mp -68.9 -60.09 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -52.91 -45.71 67.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.97 -56.61 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -65.05 -61.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.17 -46.34 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -77.37 -36.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -59.23 -60.54 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.1 mt-10 -65.04 -3.67 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.609 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 67.6 tttt -88.03 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 4.4 m-85 -110.8 -59.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 74' ' ' PHE . 40.5 mm -32.12 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 2.3 pt20 -52.17 170.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -102.02 -30.04 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -74.76 17.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -101.42 155.53 36.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -39.79 6.19 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -96.44 18.01 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 2.6 pp20? -51.96 113.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 44' ' ' ASN . 33.0 m -92.87 179.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -78.41 102.16 7.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 30.7 mt -126.98 141.15 51.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -62.5 141.17 58.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.95 -57.47 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -44.16 -62.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -45.63 -42.84 11.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -65.89 -44.86 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.53 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.44 -48.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.579 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.9 mt -66.4 -44.4 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.3 m -50.62 -40.36 52.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -87.99 -32.52 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -89.78 17.64 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 9.5 tp -78.79 -7.71 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.678 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 5.2 t -105.24 -24.75 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.838 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.1 pm0 -118.17 27.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.0 Cg_endo -69.74 146.16 59.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.1 p -117.33 179.04 4.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 55' ' ' LYS . 13.4 mt -61.03 -13.17 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -110.57 17.89 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.2 t -66.41 -53.87 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 61.0 m-85 -78.2 9.48 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -60.61 -44.87 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -54.65 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.57 -53.34 7.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -44.58 -45.26 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -57.06 -48.17 79.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -56.81 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.67 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -44.89 -42.38 7.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -74.91 -46.61 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -46.69 -41.77 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 118' ' ' GLN . 72.4 mtm -75.64 -68.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 34.3 tt0 -36.87 -33.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 116' ' ' MET . 11.1 mm-40 -49.27 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.96 -37.25 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.414 ' HB2' ' C ' ' A' ' 116' ' ' MET . 67.6 m -48.15 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 21.9 t80 -58.2 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.1 p -40.75 -43.69 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 126' ' ' LYS . 22.0 mtt180 -68.81 -50.79 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 53.2 t80 -53.49 -28.97 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.34 -22.62 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -117.91 -8.03 10.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 128' ' ' ASP . 90.2 p -57.94 120.88 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 127' ' ' SER . 5.4 m-20 -32.72 -47.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' PHE . 78.9 mt -47.55 -52.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.898 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.9 t80 -60.04 -50.32 74.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.72 -30.06 68.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -76.75 -57.05 4.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.898 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.7 OUTLIER -41.02 -38.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.3 ptp -86.6 -36.2 18.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.7 p 52.87 38.89 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.97 171.84 31.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.66 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 t -108.4 17.88 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 p -92.88 158.02 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -139.9 158.97 43.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -42.09 -60.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 -108.33 0.37 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -78.51 162.83 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -104.0 170.26 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.72 121.49 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 m -85.23 150.25 54.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.91 -30.08 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.26 -35.37 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -56.4 -64.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -43.16 -37.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' TRP . 63.6 mttt -74.16 -47.05 38.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.62 ' CH2' ' CA ' ' A' ' 28' ' ' GLY . 36.9 m0 -35.58 -51.06 0.63 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.02 -44.27 13.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 46.6 mt-10 -36.29 -64.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.3 m -139.07 155.53 47.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 20.3 t80 -61.84 -48.69 79.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -44.08 -43.39 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -53.06 -45.42 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 32' ' ' PHE . 35.5 tp -57.62 -60.85 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 48' ' ' TRP . 37.3 mt -54.23 -48.59 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -41.54 -44.89 3.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -83.29 158.77 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.676 HH21 HD23 ' A' ' 29' ' ' LEU . 3.6 tpm_? -86.79 -58.06 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -48.05 -54.3 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.62 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -56.77 -48.82 74.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.562 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD23 HH21 ' A' ' 26' ' ' ARG . 40.2 tp -52.15 -52.82 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 mm-40 -50.48 -60.66 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.52 -43.58 11.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HB2' HD21 ' A' ' 22' ' ' LEU . 43.8 t80 -58.11 -49.35 77.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.9 m -50.27 -51.0 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -64.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 9.8 t80 -37.9 -43.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 30.4 mt -71.03 -47.13 60.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -43.79 -49.02 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -59.72 -37.08 77.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 25.1 mm-40 -91.15 14.08 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.16 31.94 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -116.56 16.58 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.6 pt-20 -35.71 -29.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 47.2 m-20 -60.24 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.3 tp -73.59 -36.27 46.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -43.22 -44.38 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 36.8 t80 -70.42 -48.1 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CE2' HD13 ' A' ' 23' ' ' LEU . 52.3 t90 -43.97 -46.25 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.0 mt -64.47 -46.89 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.59 -43.56 36.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -50.3 -57.14 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.98 -61.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HA ' ' CD ' ' A' ' 56' ' ' LYS . 26.0 t0 -53.02 -42.41 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 31.9 t80 -56.5 -45.55 80.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HA ' HD22 ' A' ' 102' ' ' LEU . 54.6 mtmt -62.55 -43.87 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 53' ' ' ASP . 20.4 mtpp -40.04 -36.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -52.44 149.26 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.99 -31.61 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . -97.15 166.29 23.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.632 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.4 Cg_endo -69.63 -42.09 3.85 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -58.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -55.99 -61.7 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 60' ' ' PRO . 22.6 mt -37.61 -54.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -54.68 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.22 -64.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -46.45 -46.96 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.54 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -58.12 -51.23 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.15 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.96 -39.15 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -58.22 -62.16 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 47.0 mt-10 -68.79 -0.69 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 8.3 tttp -95.04 -64.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 16.0 m-85 -102.62 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 34.7 mm -32.12 -73.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.6 pt20 -52.09 161.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 79' ' ' ALA . 5.7 m -95.11 -32.65 12.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.451 ' OD1' ' CD ' ' A' ' 76' ' ' GLN . 6.8 p-10 -71.6 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -105.57 155.81 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.48 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -84.55 17.99 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -52.06 119.73 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 43' ' ' GLU . 35.0 m -104.51 176.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -88.9 109.45 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.4 168.27 11.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.09 147.69 52.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 8.4 t80 -47.23 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 92' ' ' VAL . 2.6 t-80 -60.26 -61.05 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -40.46 -38.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 26.3 tttt -69.07 -47.35 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 5.5 tp10 -70.65 -59.37 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' CD2' ' A' ' 88' ' ' HIS . 1.0 OUTLIER -35.45 -47.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 97.7 mt -64.42 -43.61 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 59.9 m -55.49 -41.79 73.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.7 -25.73 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -100.43 17.89 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -72.96 -2.24 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.662 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.2 p -105.89 -24.26 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 57.2 mt-30 -118.03 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.3 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.9 p -106.05 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.635 HD22 ' HA ' ' A' ' 55' ' ' LYS . 57.7 mt -62.58 -27.93 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.21 17.01 13.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 -63.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 106' ' ' ASP . 14.9 m-85 -55.38 -34.98 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.2 t70 -35.81 -47.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -55.45 33.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.32 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -53.08 -41.55 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -61.1 -55.96 26.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 44' ' ' ASN . 89.8 t -65.17 -51.93 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.411 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 16.7 t80 -39.23 -46.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -70.73 -49.67 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 112' ' ' VAL . 7.3 mt -41.15 -38.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 113' ' ' TYR . 40.8 mtm -76.54 -60.58 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 7.2 tm-20 -49.39 -17.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -64.49 -71.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -117.95 -37.86 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.4 m -48.89 -43.98 39.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -71.24 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.6 p -42.87 -44.44 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 123' ' ' ARG . 7.2 mtp180 -69.15 -44.05 73.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 38.1 t80 -47.53 -37.03 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.59 -35.35 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -96.05 15.66 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.5 p -96.43 139.14 32.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -54.47 -43.29 71.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 57.9 mt -47.25 -57.55 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.8 t80 -53.34 -51.65 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt -60.93 -28.95 69.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.51 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.755 HD12 ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -40.16 -38.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.461 ' HG3' ' N ' ' A' ' 135' ' ' SER . 4.4 ptp -90.95 -35.47 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 134' ' ' MET . 22.9 t 51.98 42.27 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 61.0 159.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.07 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 70.1 m -62.12 -43.16 99.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.8 t -63.14 -59.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -73.33 115.87 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 110.821 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -109.98 127.47 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.52 136.3 13.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p -76.7 115.12 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.8 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -154.75 167.06 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 111.59 0.51 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.0 m -58.87 146.55 75.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.84 37.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -89.47 -38.25 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.668 ' CD ' ' HE2' ' A' ' 25' ' ' HIS . 39.3 mt-10 -79.76 -41.17 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -59.43 -48.77 80.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.65 -41.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' GLU . 40.0 mttm -72.44 -43.81 63.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 40.9 m0 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -62.36 -41.61 99.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' LYS . 32.7 mt-10 -33.51 -53.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -150.58 156.35 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.676 ' CE2' HD11 ' A' ' 23' ' ' LEU . 24.0 t80 -59.75 -47.34 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -51.73 -44.82 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -48.17 -45.24 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.74 -60.79 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.676 HD11 ' CE2' ' A' ' 19' ' ' PHE . 40.1 mt -46.44 -52.75 12.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -39.16 -43.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.668 ' HE2' ' CD ' ' A' ' 11' ' ' GLU . 3.5 t-80 -84.97 139.23 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.96 -59.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.17 -53.15 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.86 80.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 45' ' ' ILE . 50.9 tp -52.64 -47.13 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -49.06 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.3 -41.94 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 42.4 t80 -56.49 -46.18 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.6 m -53.59 -50.21 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.4 t80 -40.43 -39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 32' ' ' PHE . 42.6 mt -73.74 -43.32 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -49.51 -41.79 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -63.46 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -94.06 13.26 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 52.33 36.97 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -114.13 -10.01 12.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 pp20? -43.19 -42.64 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' HG12 ' A' ' 83' ' ' VAL . 9.0 pm0 -36.72 -26.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m-20 -68.13 -59.66 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 29' ' ' LEU . 10.3 tp -61.1 -32.75 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -53.76 -43.43 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' HG21 ' A' ' 112' ' ' VAL . 37.6 t80 -73.66 -44.04 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -50.71 -48.78 58.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.77 -49.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.72 -42.57 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.98 -55.92 19.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -51.34 -46.86 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.96 -33.87 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 105' ' ' PHE . 43.2 t80 -59.53 -36.22 75.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.08 -41.81 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.9 t -52.63 149.77 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -117.53 -37.28 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.57 30.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.85 10.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 2.5 tp-100 -42.1 -70.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 6.1 mm-40 -46.31 -62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLN . 66.2 mt -37.1 -39.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 21.7 m80 -72.08 -51.68 20.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.37 -63.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.535 ' HE2' ' NE2' ' A' ' 62' ' ' GLN . 18.8 mttm -43.83 -54.08 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -46.88 -50.29 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -56.89 -49.78 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -65.12 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CD2' ' A' ' 74' ' ' PHE . 25.3 mt -53.3 -39.54 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -57.72 -65.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 70.0 mt-10 -67.51 -1.26 4.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 69.9 tttt -95.02 -63.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' HG23 ' A' ' 70' ' ' ILE . 5.7 m-85 -103.96 -62.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.578 ' HA ' HD12 ' A' ' 85' ' ' LEU . 33.1 mm -31.99 -70.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 1.7 pt20 -57.15 164.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -97.93 -32.49 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.57 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.11 156.1 35.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.78 -35.8 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -101.49 18.0 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -51.92 127.06 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG12 ' HG2' ' A' ' 43' ' ' GLU . 31.8 m -109.26 172.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -72.19 109.09 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' ILE . 52.2 mt -134.47 143.51 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.11 155.39 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.27 -55.9 28.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -50.75 -63.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -41.85 -44.99 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -65.25 -48.45 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.84 -60.07 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -42.18 -47.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.69 -45.38 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.1 m -51.39 -40.91 60.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.3 -34.32 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -89.75 17.96 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.464 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.5 tp -73.87 -5.28 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.692 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.0 t -106.2 -20.33 13.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.84 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.8 tt0 -118.04 27.06 0.12 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.84 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 104' ' ' SER . 19.2 p -104.58 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -102.07 17.95 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 101' ' ' THR . 3.6 t -68.71 -48.81 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 43.1 m-85 -79.97 15.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.22 -53.54 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.26 -53.73 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.58 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.83 -46.21 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 t -57.01 -40.36 76.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.53 -57.07 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 47' ' ' PHE . 85.4 t -60.95 -50.61 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.2 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' VAL . 7.7 t80 -37.79 -53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -66.98 -48.39 68.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 112' ' ' VAL . 10.0 mt -40.52 -40.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -73.16 -67.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 117' ' ' GLU . 6.3 tm-20 -39.15 -35.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -41.05 -71.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 123' ' ' ARG . 4.5 m-20 -118.02 -37.98 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 m -46.53 -56.53 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 63.2 t80 -60.12 -59.36 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.7 p -43.63 -47.29 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.39 -51.28 53.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 59.5 t80 -48.59 -39.95 25.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 18.9 mt -56.94 -28.33 62.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -116.15 14.51 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 129' ' ' ILE . 97.6 p -84.15 116.84 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.6 m-20 -33.29 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' SER . 87.4 mt -58.61 -57.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.545 ' HA ' HD23 ' A' ' 133' ' ' LEU . 1.7 t80 -55.82 -46.86 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 128' ' ' ASP . 5.5 mt -65.62 -36.19 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.7 m-20 -70.06 -59.86 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 133' ' ' LEU . 0.3 OUTLIER -35.62 -40.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 135' ' ' SER . 7.4 ptp -90.62 -37.44 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.484 ' N ' ' HG3' ' A' ' 134' ' ' MET . 10.1 t 52.2 46.83 25.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 138' ' ' SER . . . -74.8 155.22 47.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 14.22 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 136' ' ' GLY . 54.5 m -60.72 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.6 m -40.45 -48.99 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -96.22 156.14 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.366 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -138.92 142.38 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.45 79.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -61.8 -44.08 97.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -87.67 142.87 27.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 133' ' ' LEU . . . -53.16 122.74 22.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.8 p -105.69 147.83 35.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -7.6 21.45 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.737 2.292 . . . . 0.0 112.385 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 15.8 pt-20 -89.75 -35.44 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.46 -56.52 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.568 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -48.15 -54.71 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 6.4 p -42.85 -38.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -73.74 -49.19 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 48.9 m0 -42.87 -46.01 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.26 -35.51 20.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -40.88 -58.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.28 165.33 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 23' ' ' LEU . 30.9 t80 -60.33 -43.06 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' LYS . 2.1 t70 -51.68 -64.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -34.01 -56.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 tp -48.08 -54.98 11.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 19' ' ' PHE . 55.4 mt -56.47 -50.08 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -39.96 -41.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.99 141.84 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.34 -55.4 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -48.65 -48.27 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.56 97.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 tp -66.04 -51.01 62.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -54.37 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.86 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 46.2 t80 -55.91 -53.08 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 m -48.97 -44.27 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 34' ' ' ARG . 31.1 mtt-85 -52.76 -47.39 67.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -51.43 -44.79 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 15.3 mt -68.82 -42.69 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -42.98 -47.59 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -56.62 -32.83 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' LEU . 61.7 mm-40 -101.54 13.53 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 52.14 33.36 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.1 t -116.13 12.57 15.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -58.31 -36.22 73.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.53 -31.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' HG11 ' A' ' 112' ' ' VAL . 5.9 m-20 -54.94 -41.29 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -85.92 -25.66 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.22 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 39.2 t80 -76.33 -45.25 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 52.5 t90 -51.15 -44.47 61.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.1 mt -65.17 -44.4 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -49.42 -43.27 44.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.1 m -56.61 -56.55 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 59.9 mm-40 -47.44 -53.54 13.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 17.1 t0 -69.96 -26.61 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.4 t80 -65.7 -49.3 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 9.2 ptpt -60.73 -43.28 98.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 26.7 mtmt -39.02 -31.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.4 t -52.88 140.65 23.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -103.15 -38.59 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.75 164.31 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.2 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.697 HE22 HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -37.34 -66.17 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -45.83 -52.83 10.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.0 mt -47.88 -49.44 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.697 HD21 HE22 ' A' ' 61' ' ' GLN . 25.0 mt -51.4 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -55.77 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.42 -47.2 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -67.48 -54.45 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -57.74 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.524 HG23 ' CD1' ' A' ' 74' ' ' PHE . 61.0 mt -59.32 -37.38 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 10.4 t80 -53.21 -69.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 39.5 mt-10 -64.94 -1.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.797 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 9.4 tttp -92.14 -50.16 5.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 11.7 m-85 -118.0 -48.23 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 31.0 mm -49.07 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.546 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 1.4 pt20 -55.51 147.72 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 79' ' ' ALA . 8.7 m -76.35 -32.46 58.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.48 17.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.797 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -97.82 146.27 31.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -107.45 17.92 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 2.9 pp20? -51.53 113.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' A' ' 85' ' ' LEU . 17.8 m -94.52 176.3 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 83' ' ' VAL . 63.0 mt -126.19 143.65 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.58 145.61 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -50.89 -52.07 45.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.554 ' CE1' HG21 ' A' ' 92' ' ' VAL . 1.8 t-80 -51.87 -55.69 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.5 m -51.57 -42.7 62.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -65.05 -49.45 70.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.62 -58.39 8.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 88' ' ' HIS . 83.8 t -44.49 -48.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.45 -39.66 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -53.4 -43.99 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -85.24 -31.78 22.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -92.35 17.8 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -75.36 -10.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.701 HG23 ' HG2' ' A' ' 99' ' ' GLN . 10.1 t -106.52 -18.76 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.8 mm100 -118.18 26.7 0.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.0 Cg_endo -69.85 125.55 12.23 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.609 2.206 . . . . 0.0 112.348 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.491 ' N ' ' HB3' ' A' ' 104' ' ' SER . 22.8 p -93.37 179.15 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 63' ' ' ILE . 42.6 mt -56.81 -19.52 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.446 ' H ' ' CD2' ' A' ' 103' ' ' HIS . 5.0 p80 -114.39 18.0 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 101' ' ' THR . 87.4 p -55.77 -33.56 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.84 17.8 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -62.12 -40.04 94.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.46 -53.65 7.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.3 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -54.97 -44.67 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -49.48 -51.85 33.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -48.28 -59.23 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.709 HG12 ' CE ' ' A' ' 116' ' ' MET . 54.5 t -60.71 -59.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.452 ' CE2' ' OE1' ' A' ' 117' ' ' GLU . 73.4 t80 -40.12 -52.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -66.64 -55.69 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.28 -49.56 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.709 ' CE ' HG12 ' A' ' 112' ' ' VAL . 50.1 mtm -74.62 -57.97 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 22.6 tt0 -43.85 -26.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -69.9 -69.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 120' ' ' SER . 21.3 m-20 -98.03 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 119' ' ' ASP . 64.7 m -32.3 -59.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.535 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 12.4 t80 -51.36 -64.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.5 p -51.89 -64.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -44.17 -53.63 6.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 27.0 t80 -39.94 -59.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.83 -36.15 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.88 -28.24 58.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' PHE . 33.4 p -62.2 127.99 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.737 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -45.8 -37.66 6.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.745 ' O ' HD12 ' A' ' 133' ' ' LEU . 75.9 mt -45.61 -50.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -68.52 -51.53 42.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.0 mt -51.67 -33.68 34.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.8 t70 -61.07 -58.71 7.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 129' ' ' ILE . 4.2 mp -37.96 -52.17 1.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 9.5 ptp -76.88 -34.0 57.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.5 t -82.12 16.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.84 -171.59 20.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 109.0 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.393 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 86.0 p -80.58 114.67 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 t -55.75 114.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -81.12 -47.21 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -95.54 157.64 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.77 159.69 13.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -112.01 16.54 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -126.06 134.13 51.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.57 100.15 0.65 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -117.09 142.6 30.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 110.797 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -32.39 18.84 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.381 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -45.18 -31.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 25' ' ' HIS . 14.4 mm-40 -82.89 -39.92 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.09 -55.28 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.19 -35.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.83 -44.22 20.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CZ3' HD22 ' A' ' 133' ' ' LEU . 41.6 m0 -45.41 -32.3 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.83 15.58 6.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.37 -53.06 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.6 p -158.41 154.28 26.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -56.8 -42.57 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -59.65 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -40.19 -43.7 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.1 tp -61.03 -47.78 84.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.2 mt -67.4 -34.27 76.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -64.75 -41.69 95.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' A' ' 11' ' ' GLU . 10.9 t-80 -89.44 115.08 26.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -41.6 -65.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -41.66 -46.85 3.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.74 -43.42 99.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.99 -47.61 73.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.19 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -42.53 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.7 t80 -55.35 -54.39 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.401 ' HA ' HD12 ' A' ' 36' ' ' LEU . 88.5 m -48.58 -50.2 33.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -42.45 -62.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.522 ' HB2' HD12 ' A' ' 129' ' ' ILE . 19.6 t80 -45.33 -37.3 4.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD11 ' CE2' ' A' ' 32' ' ' PHE . 24.8 mt -75.76 -40.92 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.95 -42.67 63.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 p -61.96 -37.58 85.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.597 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 63.6 mm-40 -92.7 13.76 19.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.41 31.96 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -107.86 -11.5 15.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.4 pp20? -41.2 -44.2 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.6 pt-20 -33.52 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLU . 77.8 m-20 -60.9 -58.24 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 42' ' ' GLU . 10.7 tp -62.42 -29.15 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.89 -46.07 82.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 64.8 t80 -66.53 -37.51 85.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.447 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 23.3 t90 -59.48 -38.18 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.46 -48.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.4 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.1 m -55.49 -54.36 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 30.2 mm-40 -47.53 -55.93 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.49 -38.35 90.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 55' ' ' LYS . 1.4 t80 -58.4 -57.05 14.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 54' ' ' PHE . 16.4 ptpt -61.83 -33.62 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -65.48 -17.19 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -55.32 167.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -132.09 116.96 17.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.33 164.96 24.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.1 Cg_endo -69.82 -51.02 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.505 ' OE1' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -37.1 -65.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' HG3' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp60 -49.46 -56.7 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.533 HG12 HD23 ' A' ' 102' ' ' LEU . 34.8 mt -47.91 -47.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -63.71 -57.14 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.505 HD22 ' OE1' ' A' ' 61' ' ' GLN . 11.2 mp -55.65 -56.56 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' HE2' ' HG3' ' A' ' 62' ' ' GLN . 6.9 mmtm -52.2 -49.52 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.55 -53.71 42.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -56.16 -57.1 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.2 mt -50.7 -45.07 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.95 -62.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -63.85 -4.69 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 22.1 tttt -89.13 -69.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -98.5 -62.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.542 HD13 ' CD1' ' A' ' 85' ' ' LEU . 49.9 mm -33.67 -67.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.2 pt20 -52.0 138.26 25.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.17 160.03 25.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 63.76 32.06 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.992 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -106.52 172.88 3.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.992 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.78 -31.77 19.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.6 mmtp -118.05 17.89 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' A' ' 79' ' ' ALA . 2.7 pp20? -52.07 132.13 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' HG ' ' A' ' 85' ' ' LEU . 34.7 m -119.8 173.25 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.596 ' O ' HD11 ' A' ' 115' ' ' LEU . 29.3 m-20 -83.03 103.01 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 83' ' ' VAL . 89.0 mt -123.1 165.71 16.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.4 156.73 24.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -59.25 -59.28 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.75 -65.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -48.24 -52.3 21.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -52.0 -45.91 64.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -66.28 -59.2 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -40.79 -43.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.74 -46.04 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -51.48 -41.43 60.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -88.9 -32.01 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -91.27 18.02 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.49 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -76.45 -8.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.196 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 7.5 t -105.02 -21.87 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 pt20 -117.96 27.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.76 141.48 45.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 103' ' ' HIS . 42.5 p -113.52 178.85 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.533 HD23 HG12 ' A' ' 63' ' ' ILE . 90.7 mt -57.04 -19.56 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.403 ' CE1' ' OG1' ' A' ' 101' ' ' THR . 45.1 p-80 -108.94 18.01 21.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -57.59 -54.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -79.43 14.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.1 -54.09 50.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.53 -54.36 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.7 -55.71 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -44.7 -53.09 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -49.4 -45.69 46.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.31 -61.08 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG12 ' SD ' ' A' ' 116' ' ' MET . 48.7 t -54.8 -53.99 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.8 t80 -34.66 -43.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' LEU . 21.9 mt-30 -72.98 -49.54 28.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 84' ' ' ASN . 35.0 mt -35.02 -44.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.667 ' SD ' HG12 ' A' ' 112' ' ' VAL . 3.5 mpp? -75.4 -68.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -41.0 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 116' ' ' MET . 61.1 mm-40 -58.55 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.03 -37.58 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 75.5 m -48.88 -54.16 16.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.641 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 32.6 t80 -56.01 -62.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.6 p -49.93 -37.79 33.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -70.61 -42.67 70.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.68 -34.82 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 80.6 mt -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -97.34 17.82 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.7 p -87.62 145.76 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -49.45 -54.09 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 35' ' ' PHE . 77.2 mt -43.57 -58.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.591 ' HA ' HD13 ' A' ' 133' ' ' LEU . 2.4 t80 -59.54 -48.55 81.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt -52.9 -38.7 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 133' ' ' LEU . 25.2 t70 -55.46 -51.85 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 130' ' ' TYR . 2.7 mp -37.2 -49.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 135' ' ' SER . 11.9 ptp -82.32 -36.97 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 134' ' ' MET . 10.2 p 52.05 41.68 30.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 122.89 160.01 10.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.741 2.294 . . . . 0.0 112.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t 66.26 41.31 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 140' ' ' GLY . 6.7 t 58.64 42.65 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 139' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -88.58 118.79 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -104.29 17.76 23.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.89 68.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.553 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -163.78 166.97 21.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -127.61 132.72 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.77 128.43 14.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -78.95 141.4 58.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' O ' HG12 ' A' ' 13' ' ' VAL . 54.5 Cg_endo -69.73 -26.86 27.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.379 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.59 -39.22 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.85 -51.77 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.96 -54.23 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 9' ' ' PRO . 6.3 p -50.89 -30.87 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -82.26 -42.74 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 22' ' ' LEU . 43.5 m0 -42.49 -42.6 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.57 -37.71 61.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.9 mm-40 -34.51 -59.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.2 m -151.54 152.58 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.96 -46.75 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -55.1 -49.43 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 6.7 mtpt -42.44 -44.85 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 15' ' ' TRP . 5.9 tp -60.57 -59.81 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 38.7 mt -43.81 -51.65 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.977 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.8 t -37.33 -40.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -90.9 128.92 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -55.5 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.39 -51.63 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -57.99 -51.14 60.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.74 -45.31 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.08 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.53 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 36' ' ' LEU . 59.3 t80 -43.03 -46.0 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 33.4 m -58.69 -45.29 89.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -52.29 -59.77 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -47.16 -40.07 15.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.2 mt -70.67 -43.6 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -44.67 -49.96 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.1 p -54.28 -38.13 65.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.6 11.0 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 52.49 36.1 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -117.49 -0.95 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -45.24 -41.56 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -41.76 -33.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' O ' HG11 ' A' ' 112' ' ' VAL . 56.6 m-20 -53.06 -42.97 66.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.2 tp -85.06 -26.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.74 -38.26 66.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 48.4 t80 -74.82 -45.47 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -48.22 -51.73 24.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.4 mt -59.23 -50.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.09 40.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 47' ' ' PHE . 54.5 m -48.39 -42.44 31.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.05 -57.08 9.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 66' ' ' LYS . 44.8 t0 -55.63 -33.39 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.639 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.0 t80 -58.87 -37.61 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LYS . 35.7 mtmt -65.15 -43.88 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 30.1 mtpt -34.57 -36.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 58.1 p -52.44 148.1 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 5.5 ptmm? -117.98 -36.67 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -97.0 167.45 24.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -37.57 9.1 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.86 ' O ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -43.19 -63.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.3 tp60 -55.17 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.639 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 55.3 mt -34.55 -67.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -42.08 -46.63 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 61' ' ' GLN . 11.1 mp -67.98 -65.1 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 46.9 mttt -40.98 -42.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -51.87 60.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -60.4 -52.4 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.65 -57.17 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.94 -28.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 75' ' ' ILE . 16.9 t80 -65.93 -68.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 30.7 mt-10 -61.36 -3.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 20.4 tttp -93.83 -51.84 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 46.4 m-85 -115.48 -52.53 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 71' ' ' TYR . 27.9 mm -42.77 -69.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 2.2 pt20 -56.09 157.8 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -90.53 -25.64 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 12.1 t0 -78.44 17.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -98.81 153.24 37.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.0 24.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -110.18 17.9 20.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.87 125.83 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.82 178.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -89.37 102.47 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.62 ' CD1' HD13 ' A' ' 75' ' ' ILE . 17.4 mt -109.94 143.15 40.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -51.98 144.77 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -49.66 -57.22 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.413 ' CD2' HG21 ' A' ' 92' ' ' VAL . 41.1 t60 -57.16 -64.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.9 m -42.63 -54.22 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' ILE . 20.6 tttt -50.03 -45.41 52.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.6 tp10 -69.64 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' GLU . 95.5 t -35.66 -47.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ILE . 94.2 mt -61.64 -47.72 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -50.1 -43.45 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -82.12 -31.9 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m -96.16 17.75 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' ILE . 11.0 tp -73.58 -6.03 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.699 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -107.18 -19.33 13.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.834 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 1.8 tp60 -118.05 26.83 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.834 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.5 Cg_endo -69.73 126.5 13.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.2 p -102.35 177.59 4.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.4 -16.24 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -113.66 17.91 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -49.49 66.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -78.18 9.55 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.85 -41.96 96.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.66 -54.43 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.37 -50.95 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -46.71 -43.29 17.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.3 t -58.24 -47.56 83.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 111' ' ' ARG . 7.6 tpt85 -50.21 -59.56 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 47' ' ' PHE . 94.9 t -56.27 -51.01 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -45.73 -53.0 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.46 -40.77 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD23 ' OE1' ' A' ' 118' ' ' GLN . 6.9 mt -60.97 -24.48 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 120' ' ' SER . 72.1 mtm -95.2 -14.83 23.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tm-20 -94.04 -16.91 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.602 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -74.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.96 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.02 -37.64 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 116' ' ' MET . 58.3 m -48.17 -35.83 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -74.49 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.7 p -51.11 -39.86 57.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -73.55 -41.61 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 130' ' ' TYR . 10.2 t80 -49.47 -43.02 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 130' ' ' TYR . 6.6 mt -65.42 -36.25 83.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -74.43 -29.9 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.2 p -58.83 131.87 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -42.19 -39.42 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.2 mt -44.88 -55.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CE2' HD23 ' A' ' 125' ' ' LEU . 10.2 t80 -67.73 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 134' ' ' MET . 51.1 mt -41.6 -35.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 133' ' ' LEU . 52.7 t0 -58.21 -57.66 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.417 HD22 ' CZ3' ' A' ' 15' ' ' TRP . 1.8 mp -38.11 -48.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 12.3 ptp -77.6 -38.27 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 134' ' ' MET . 11.4 t 53.42 40.69 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.29 145.7 30.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 165.82 29.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.1 t -112.69 133.6 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 70.1 m -71.74 -50.13 32.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -72.29 131.13 42.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -91.69 -43.93 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.68 134.43 12.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 m -125.78 159.52 32.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -53.84 101.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.86 102.82 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.539 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -153.48 152.52 27.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -3.96 13.04 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -86.35 -36.12 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 11.7 pt-20 -85.76 -49.36 8.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB1' ' CE ' ' A' ' 134' ' ' MET . . . -56.1 -41.11 74.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 14' ' ' LYS . 7.2 p -60.27 -41.86 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 13' ' ' VAL . 28.3 mttm -74.25 -37.91 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 11' ' ' GLU . 45.0 m0 -41.39 -48.89 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -59.17 -33.34 74.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.2 mm-40 -35.65 -58.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -150.94 161.55 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.5 t80 -60.57 -43.03 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.43 -44.16 84.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.41 -49.23 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.16 -52.24 59.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 39.3 mt -59.97 -47.99 83.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 5.7 p -37.72 -40.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -86.16 149.08 25.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -73.49 -60.32 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -49.34 -55.61 12.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.77 -41.17 43.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.553 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.666 HD21 HG12 ' A' ' 49' ' ' ILE . 56.8 tp -63.4 -53.46 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -51.39 -62.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' HD22 ' A' ' 133' ' ' LEU . . . -44.82 -47.0 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 36' ' ' LEU . 57.7 t80 -51.77 -46.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.44 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.1 m -52.8 -56.41 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -38.44 -51.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -47.26 -51.63 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.0 mt -67.35 -43.09 82.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 33' ' ' THR . 18.9 mtpt -44.41 -51.04 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -54.13 -38.64 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.38 12.78 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 52.81 34.86 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -117.38 14.31 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.7 pm0 -63.88 -38.46 91.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.41 -37.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.542 ' O ' HG11 ' A' ' 112' ' ' VAL . 2.1 m-20 -57.08 -58.34 8.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.3 tp -67.74 -37.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -46.42 -41.34 13.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 73.8 t80 -68.3 -38.73 81.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 48' ' ' TRP . 13.8 t90 -58.04 -39.32 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.666 HG12 HD21 ' A' ' 29' ' ' LEU . 30.4 mt -77.4 -37.5 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 -27.31 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.8 m -78.59 -67.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 1.8 pp20? -42.36 -33.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -82.23 -40.86 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -52.36 -42.35 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' O ' HD22 ' A' ' 102' ' ' LEU . 39.9 mtmt -56.41 -46.28 80.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.7 mtpp -37.83 -32.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' LYS . 36.7 m -53.41 133.41 40.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -97.66 -56.66 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.38 164.61 54.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.533 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' OE1' HD13 ' A' ' 65' ' ' LEU . 1.1 tm0? -38.22 -68.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.08 -48.47 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 54' ' ' PHE . 68.6 mt -58.45 -49.92 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -55.06 -52.19 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.2 mp -62.24 -62.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -47.16 -52.04 16.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.65 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -55.5 -55.19 34.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.78 -43.83 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HD1' HG21 ' A' ' 75' ' ' ILE . 2.4 t80 -57.38 -61.19 2.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 29.6 mt-10 -62.74 -5.64 2.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 10.9 tttt -87.32 -69.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.09 -62.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' PHE . 44.1 mm -33.51 -69.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.603 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.4 pt20 -52.39 136.08 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.4 m -75.1 174.2 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.707 ' H ' HG22 ' A' ' 77' ' ' THR . 2.6 t70 48.28 31.99 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.9 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.43 170.36 6.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.9 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.67 -30.6 22.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 36.3 mmtt -117.98 17.86 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 2.8 pp20? -52.44 122.08 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -110.31 177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -86.97 112.88 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.8 mt -129.03 166.98 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -78.94 147.78 32.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.2 t80 -51.09 -62.0 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.65 ' O ' HG13 ' A' ' 92' ' ' VAL . 6.4 t-160 -44.74 -69.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 92' ' ' VAL . 43.1 m -45.55 -59.94 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 12.9 tttt -46.19 -20.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -97.41 -43.91 7.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 88' ' ' HIS . 1.5 m -55.45 -45.95 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 92' ' ' VAL . 96.4 mt -64.43 -46.26 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.8 m -49.97 -40.01 42.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -85.28 -35.16 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.8 t -87.74 17.99 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -71.9 -9.09 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.664 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -105.12 -21.82 13.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.4 pt20 -118.12 29.52 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.71 127.31 14.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 p -106.67 178.25 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 55' ' ' LYS . 87.2 mt -56.21 -24.12 39.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -102.12 17.85 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.1 t -68.34 -56.71 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -79.27 13.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.8 -47.15 79.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.45 -55.57 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.56 -47.96 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -47.46 -45.0 25.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.9 t -61.04 -49.88 75.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -40.45 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 44' ' ' ASN . 92.5 t -56.99 -58.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 65.1 t80 -37.49 -43.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -72.47 -56.52 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.56 -40.34 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLN . 63.3 mtm -74.1 -66.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.8 tm-20 -37.0 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' MET . 72.5 mt-30 -49.03 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -117.92 -35.73 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.9 m -50.53 -52.0 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 18.6 t80 -60.54 -68.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.1 p -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -65.6 -51.16 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 47.1 t80 -49.51 -36.86 24.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 79.8 mt -61.75 -30.15 70.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -101.01 16.55 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -95.32 144.32 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.84 -45.81 93.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -46.88 -42.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.527 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.4 t80 -68.17 -58.66 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.43 -22.28 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -83.62 -58.16 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -40.42 -33.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.513 ' CE ' ' HB1' ' A' ' 12' ' ' ALA . 2.8 ptp -92.83 -34.71 13.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 134' ' ' MET . 8.5 t 52.57 44.35 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -81.88 -169.39 42.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.44 5.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.3 t 61.24 42.46 12.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.4 p -131.81 117.93 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -143.7 140.41 30.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -88.78 112.14 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 68.35 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 p -60.66 145.33 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -111.86 145.1 40.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.9 132.63 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t -148.36 139.68 13.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.726 0.774 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -9.99 27.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 13' ' ' VAL . 6.3 tp10 -74.82 -41.26 60.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.0 -37.09 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -55.98 -43.68 77.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 10' ' ' GLU . 5.8 p -61.49 -31.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -80.72 -48.09 13.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 47.4 m0 -42.06 -46.32 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.21 -37.16 7.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.1 mt-10 -37.39 -58.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -158.89 156.65 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 23' ' ' LEU . 22.7 t80 -52.07 -47.69 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 38.7 t0 -44.08 -66.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -34.22 -55.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 32' ' ' PHE . 14.5 tp -48.13 -55.41 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 19' ' ' PHE . 35.5 mt -60.13 -45.11 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 t -46.26 -43.06 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -81.51 155.51 25.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -76.43 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.35 -58.09 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.35 -38.87 9.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.6 -54.6 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -50.59 -48.11 57.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' CB ' HD11 ' A' ' 133' ' ' LEU . . . -61.27 -42.89 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' HB2' HD21 ' A' ' 22' ' ' LEU . 28.9 t80 -57.87 -55.87 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.9 m -48.73 -44.73 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.08 -61.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 129' ' ' ILE . 28.8 t80 -39.86 -44.88 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' ' C ' ' A' ' 41' ' ' SER . 51.5 mt -69.18 -48.89 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -42.09 -46.81 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -59.65 -39.35 84.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -93.06 14.37 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 52.05 33.28 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.7 m -114.92 15.18 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.535 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.6 pm0 -59.22 -42.55 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 7.0 pt-20 -37.76 -39.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.6 -54.47 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.1 tp -75.45 -34.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 23.2 mt-10 -46.69 -45.18 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 62.8 t80 -64.69 -42.76 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.492 ' CE2' HD13 ' A' ' 23' ' ' LEU . 31.2 t90 -51.26 -47.21 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.39 -35.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.05 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.562 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 86.3 m -71.7 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.4 -33.67 4.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -79.64 -40.1 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.8 t80 -52.15 -39.12 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' LYS . 36.2 mtmt -59.95 -47.21 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' LYS . 45.5 mttm -33.68 -42.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -52.32 147.49 7.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -118.03 -35.8 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.49 165.97 47.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -42.82 3.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -47.28 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -39.14 -52.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.701 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 54.3 mt -53.24 -49.43 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.15 -61.09 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 mp -49.25 -50.74 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -64.16 -43.4 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.89 64.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -63.59 -49.24 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.32 -62.17 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -51.63 -36.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 75' ' ' ILE . 15.5 t80 -55.82 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 41.8 mt-10 -63.46 -0.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 34.9 tttt -90.26 -58.51 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 4.8 m-85 -118.05 -47.33 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.591 HG21 ' CD2' ' A' ' 71' ' ' TYR . 25.8 mm -40.46 -69.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.593 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 2.9 pt20 -57.39 173.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.5 m -101.85 -38.61 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -70.48 17.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -95.97 154.55 38.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.42 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.612 2.208 . . . . 0.0 112.385 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 8.7 mmtp -110.92 17.95 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.88 127.05 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.402 HG23 ' HG ' ' A' ' 85' ' ' LEU . 23.1 m -111.08 175.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -79.87 102.22 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HG ' HG23 ' A' ' 83' ' ' VAL . 17.8 mt -122.77 139.12 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.01 145.37 50.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -50.45 -63.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.1 t60 -41.8 -56.51 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.0 m -50.36 -46.43 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -64.02 -56.67 13.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.8 -46.89 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 88' ' ' HIS . 89.6 t -55.73 -45.34 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ILE . 97.3 mt -68.35 -41.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -54.66 -43.83 72.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -85.4 -25.13 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.7 t -100.46 17.33 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -75.81 -10.39 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.616 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 23.1 p -102.4 -21.98 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.773 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.1 pt20 -118.02 32.62 0.18 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.2 Cg_endo -69.72 148.41 65.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.9 p -132.02 177.41 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.13 -27.04 66.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.13 17.73 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.9 t -95.2 -68.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.4 m-85 -44.56 -37.68 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' PHE . 2.3 m-20 -35.91 -41.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.34 -60.38 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.09 56.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -45.56 -48.59 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.6 t -50.44 -40.43 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -57.62 -59.85 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 47' ' ' PHE . 60.9 t -59.18 -48.54 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.456 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 23.3 t80 -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' LEU . 37.6 mm-40 -71.67 -56.9 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 114' ' ' GLN . 7.5 mt -33.84 -44.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 112' ' ' VAL . 36.7 mtm -78.35 -56.95 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 42.6 tt0 -45.11 -20.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.7 mm100 -76.98 -69.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' SER . 86.5 m-20 -98.02 -64.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' ASP . 58.8 m -32.02 -51.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 29.3 t80 -62.0 -68.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -66.9 -35.83 80.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 130' ' ' TYR . 32.6 t80 -60.15 -38.03 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.35 -40.76 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -78.9 -17.43 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 p -67.24 137.3 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 131' ' ' LEU . 1.4 t70 -51.29 -48.14 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 35' ' ' PHE . 85.9 mt -38.39 -47.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.803 ' HA ' HD12 ' A' ' 133' ' ' LEU . 55.2 t80 -75.74 -55.3 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 128' ' ' ASP . 38.3 mt -39.3 -38.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.91 -46.55 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 130' ' ' TYR . 8.5 mt -44.18 -49.42 9.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.9 ptp -84.48 -35.44 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 134' ' ' MET . 4.3 t -81.13 16.09 1.67 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.92 -153.27 6.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.405 ' HB2' ' C ' ' A' ' 140' ' ' GLY . 54.3 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 m -55.94 -44.34 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.4 t -82.98 -55.01 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' C ' ' HB2' ' A' ' 137' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -101.29 123.04 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.394 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -124.38 110.76 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.11 -72.61 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -62.09 -47.94 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t 66.63 42.16 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.91 -164.4 25.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.437 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -126.34 123.79 24.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.19 32.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.58 -39.32 52.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.66 -34.58 46.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -62.21 -52.67 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.08 -33.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -80.1 -39.83 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.532 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 29.5 m0 -38.24 -54.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -40.24 -40.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' GLY . 24.0 mt-10 -34.46 -56.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -153.39 162.97 40.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.4 t80 -62.21 -39.58 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -55.21 -49.77 71.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -46.34 -49.92 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 32' ' ' PHE . 20.1 tp -54.46 -61.32 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 ' CE2' ' A' ' 19' ' ' PHE . 34.2 mt -51.18 -51.23 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.0 t -34.3 -44.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -89.1 146.76 24.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -63.88 -62.17 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD2' HD13 ' A' ' 133' ' ' LEU . 17.1 t70 -43.85 -59.76 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.8 -42.95 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 23' ' ' LEU . 58.3 tp -69.33 -43.68 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.316 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.56 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.61 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HD11 ' A' ' 36' ' ' LEU . 46.8 t80 -55.37 -60.51 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 45' ' ' ILE . 54.2 m -39.48 -46.94 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -53.02 -50.46 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 129' ' ' ILE . 35.2 t80 -48.19 -40.98 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 32' ' ' PHE . 40.6 mt -71.0 -56.08 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' A' ' 42' ' ' GLU . 45.0 mttt -38.34 -48.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -56.28 -39.27 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 72.4 mm-40 -93.52 14.2 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 54.03 32.08 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 m -118.03 17.84 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.7 pt-20 -70.52 -35.26 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 1.8 pm0 -40.95 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HG11 ' A' ' 112' ' ' VAL . 94.5 m-20 -68.79 -57.19 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.431 HG21 HG23 ' A' ' 33' ' ' THR . 10.4 tp -70.43 -31.57 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.81 -42.66 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HD2' HG21 ' A' ' 112' ' ' VAL . 60.9 t80 -75.54 -41.12 55.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.52 -41.93 66.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' CYS . 64.1 mt -65.45 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.12 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' ILE . 90.4 m -72.09 -68.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' C ' ' OE1' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -44.65 -30.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 10.6 t70 -91.31 -25.49 19.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' O ' HD22 ' A' ' 102' ' ' LEU . 5.0 ptpp? -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 mtpt -34.96 -36.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 11.9 t -51.94 149.42 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -111.71 -34.78 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.86 169.23 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -42.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.587 2.192 . . . . 0.0 112.367 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.641 ' OE1' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -41.1 -68.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.9 tp-100 -49.21 -51.55 32.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.49 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.3 mt -49.4 -42.55 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -63.04 -50.29 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD21 ' OE1' ' A' ' 61' ' ' GLN . 12.7 mt -56.58 -62.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 60.6 mttt -49.2 -43.74 42.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.7 -53.38 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -64.2 -50.65 67.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 -58.96 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.0 mt -59.31 -39.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 5.4 t80 -51.64 -69.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 27.3 mt-10 -62.3 -0.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.928 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 24.3 tttt -89.66 -57.84 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.8 m-85 -118.02 -39.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 45.9 mm -54.18 -69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 1.5 pt20 -51.91 148.13 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HG3' ' A' ' 82' ' ' GLU . 22.7 m -73.77 -37.27 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 25.1 t70 -74.59 17.93 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -88.52 142.8 31.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.262 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -108.55 17.93 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 1.6 tm-20 -47.16 118.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG23 ' HG ' ' A' ' 85' ' ' LEU . 32.7 m -100.33 176.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -76.99 101.98 6.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 83' ' ' VAL . 78.1 mt -130.93 143.13 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.92 149.01 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -44.68 -59.28 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -40.22 -59.92 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.1 m -48.73 -51.36 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.83 -34.09 75.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' THR . 1.8 tp10 -74.46 -68.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -34.48 -47.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 84.3 mt -63.11 -43.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' GLU . 99.6 m -51.07 -43.81 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -87.05 -28.3 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -94.77 17.46 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.465 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -79.78 -12.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.69 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -106.17 -22.2 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.837 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.4 pt20 -118.03 26.82 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.709 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.837 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.4 Cg_endo -69.74 136.95 34.35 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.619 ' HG1' ' CE1' ' A' ' 103' ' ' HIS . 60.9 p -107.68 179.29 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' LYS . 33.5 mt -57.22 -18.78 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.619 ' CE1' ' HG1' ' A' ' 101' ' ' THR . 6.3 p80 -111.5 17.76 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -61.5 -54.43 43.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -79.12 10.74 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.66 -46.11 91.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -59.31 3.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.62 12.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -52.94 -43.16 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.4 t -60.18 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -50.9 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.617 HG11 ' O ' ' A' ' 44' ' ' ASN . 90.0 t -71.68 -40.6 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -46.26 -49.82 16.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -70.37 -38.52 74.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.554 HD23 ' OE1' ' A' ' 118' ' ' GLN . 7.8 mt -58.12 -25.56 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.423 ' CE ' HD12 ' A' ' 45' ' ' ILE . 63.7 mtm -96.28 -17.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -93.36 -7.23 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.554 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -69.46 -71.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.01 -37.92 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.7 m -48.27 -44.74 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.14 -52.66 38.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.0 p -54.61 -38.68 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -72.84 -43.79 62.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 38.4 t80 -53.33 -39.0 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.4 -33.89 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -101.02 16.48 25.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 p -89.98 162.44 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -78.99 -37.88 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 35' ' ' PHE . 84.3 mt -56.17 -38.8 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -73.86 -47.28 39.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 138' ' ' SER . 13.4 mt -65.09 -28.72 69.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.05 -57.34 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.694 HD12 ' C ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -39.89 -33.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 135' ' ' SER . 5.3 ptp -96.31 -36.36 10.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 134' ' ' MET . 5.2 t 52.41 46.37 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.55 -158.06 32.29 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.63 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.643 2.228 . . . . 0.0 112.409 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.424 ' HB2' HD22 ' A' ' 131' ' ' LEU . 77.5 p -55.81 156.59 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.6 p -110.5 17.92 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -93.29 177.62 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -48.37 -47.19 37.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.73 -124.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -160.42 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -112.14 158.79 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.91 39.26 88.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 t -98.53 142.34 24.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.691 0.757 . . . . 0.0 110.891 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.92 19.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 13' ' ' VAL . 8.0 pt-20 -80.2 -40.1 27.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -78.23 -45.47 22.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.563 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -52.82 -57.99 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 10' ' ' GLU . 7.5 p -41.89 -38.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -75.0 -45.48 41.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.3 m0 -41.08 -47.85 3.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -49.07 -37.54 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' GLY . 38.8 mt-10 -34.97 -47.11 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -157.54 156.59 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.9 t80 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.8 -44.34 90.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -47.87 -44.1 29.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 32' ' ' PHE . 7.3 tp -62.27 -61.51 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 48' ' ' TRP . 41.3 mt -39.26 -47.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -49.32 -42.42 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' HZ2' ' A' ' 15' ' ' TRP . 30.8 t-80 -77.37 135.3 38.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -65.08 -62.29 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.21 -45.18 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -48.32 79.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.551 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.02 -58.57 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.28 -56.15 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.07 -41.08 59.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 74.8 t80 -63.13 -48.96 76.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m -54.1 -44.64 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 34' ' ' ARG . 29.8 mtt85 -51.83 -54.28 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.4 -41.91 14.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 32' ' ' PHE . 27.6 mt -71.86 -43.17 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.85 -46.75 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -57.2 -40.3 77.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -91.81 13.52 18.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 52.05 33.94 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -116.78 16.91 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.8 pp20? -62.45 -40.48 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG3' HG12 ' A' ' 83' ' ' VAL . 16.0 pt-20 -41.18 -36.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -53.64 -54.68 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.1 tp -72.6 -33.99 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.98 -46.19 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.687 ' CD2' HG21 ' A' ' 112' ' ' VAL . 38.1 t80 -63.86 -49.48 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CE2' HD13 ' A' ' 23' ' ' LEU . 42.9 t90 -42.2 -49.07 4.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.25 -42.39 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.38 -28.09 51.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 50.6 m -75.35 -68.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -43.63 -31.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.97 -34.91 20.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 1.9 t80 -58.02 -39.25 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.83 -45.43 86.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -40.77 -34.51 0.39 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.7 m -53.95 166.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 54.7 pttt -143.28 124.89 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 63' ' ' ILE . . . 103.93 162.85 24.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -69.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -49.36 -58.57 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 59' ' ' GLY . 33.7 mt -45.18 -49.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -56.76 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -49.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -49.58 -46.25 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.83 -54.83 20.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.65 -54.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.87 -66.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 74' ' ' PHE . 94.3 mt -51.6 -41.55 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 1.1 t80 -58.11 -61.33 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 27.7 mt-10 -69.04 -0.1 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 22.5 tttt -96.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.5 m-85 -97.99 -63.45 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 35.7 mm -32.15 -73.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.574 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 pt20 -52.79 155.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -91.87 -33.12 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 17.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -102.94 157.33 33.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -37.36 9.26 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -100.83 17.82 21.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.0 124.35 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.411 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -104.47 179.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.25 108.59 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -121.74 153.15 38.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.1 t70 -61.93 143.18 56.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.91 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.468 ' NE2' HG21 ' A' ' 92' ' ' VAL . 77.9 t60 -52.48 -64.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.3 m -47.11 -41.22 16.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 16.4 tttt -63.3 -51.28 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.9 tp10 -65.16 -60.67 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG21 ' NE2' ' A' ' 88' ' ' HIS . 96.6 t -34.56 -46.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.99 -52.65 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -45.68 -44.42 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -83.48 -34.43 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -88.27 18.02 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.489 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -71.33 -10.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.667 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 t -103.61 -21.18 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.814 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.5 pt20 -118.1 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.66 132.35 23.29 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.3 p -109.39 178.85 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 63' ' ' ILE . 37.5 mt -66.19 -18.99 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -106.11 17.37 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -75.77 -55.03 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HD2' ' CE2' ' A' ' 54' ' ' PHE . 55.2 m-85 -73.79 7.11 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.48 -46.67 63.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.2 -46.73 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.13 94.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -55.54 -40.26 71.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 t -63.83 -38.41 91.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.07 -54.72 43.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 47' ' ' PHE . 95.0 t -61.01 -47.19 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -42.61 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.25 -54.21 32.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 mt -38.69 -42.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.19 -65.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -39.41 -33.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.93 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 -37.73 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.1 m -47.7 -53.23 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.797 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.518 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.6 t80 -65.91 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -41.02 -46.97 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.66 -48.87 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 41.4 t80 -49.24 -28.47 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.518 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 93.7 mt -71.65 -30.31 65.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -107.12 16.81 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' ASP . 64.1 p -90.84 121.57 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.2 m-20 -35.37 -47.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.52 -54.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.626 ' HA ' HD23 ' A' ' 133' ' ' LEU . 5.8 t80 -54.64 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.1 mt -46.81 -33.77 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -70.09 -51.62 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -40.52 -39.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.49 ' N ' ' HG ' ' A' ' 133' ' ' LEU . 5.2 ptp -91.98 -38.24 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 134' ' ' MET . 3.7 m -68.79 -2.4 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.76 144.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 87.72 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.362 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 96.8 p -79.59 120.15 23.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 t -126.21 161.14 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.513 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -54.91 125.59 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -157.64 116.39 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.64 117.99 10.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -67.85 167.57 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -153.63 114.84 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.85 60.67 0.53 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -62.91 141.17 97.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.717 0.77 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -5.19 15.63 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 13' ' ' VAL . 61.4 tt0 -90.89 -44.76 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 25' ' ' HIS . 18.2 pt-20 -70.67 -43.27 69.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -60.69 -55.03 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 10' ' ' GLU . 6.5 p -45.68 -36.28 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' TRP . 40.2 mttm -77.1 -49.22 15.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.0 m0 -36.76 -52.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.92 -41.54 6.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLY . 28.2 mt-10 -32.15 -59.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.1 p -151.31 156.68 41.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 23' ' ' LEU . 26.9 t80 -56.74 -39.47 74.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -54.28 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -39.54 -53.49 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -48.58 -50.16 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 19' ' ' PHE . 30.7 mt -61.9 -49.84 74.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -40.28 -43.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' NE2' ' OE1' ' A' ' 11' ' ' GLU . 3.0 t-80 -77.35 140.55 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -64.88 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.32 -51.45 34.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.64 -55.56 22.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.454 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 45' ' ' ILE . 45.6 tp -53.57 -53.29 53.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.767 0.317 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -48.07 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.98 35.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 40.9 t80 -55.0 -45.8 75.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -55.66 -50.91 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 34' ' ' ARG . 10.3 mtp180 -43.83 -51.65 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 10.5 t80 -50.05 -41.95 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 34.8 mt -74.53 -43.94 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -46.1 -41.83 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -68.3 -36.29 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -92.31 14.49 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 51.2 34.57 11.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.467 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -109.25 -13.99 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.7 pp20? -41.69 -45.89 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -33.88 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 76.3 m-20 -66.33 -56.84 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 29' ' ' LEU . 8.7 tp -62.26 -29.41 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.0 -43.49 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 24.0 t80 -70.54 -45.19 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 75.5 t90 -50.38 -46.65 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.61 -49.41 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.85 -41.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.423 ' C ' ' HE2' ' A' ' 55' ' ' LYS . 72.0 m -61.51 -59.17 5.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -42.03 -39.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.61 -37.22 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 6.6 t80 -58.13 -44.14 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -67.18 -40.87 86.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -43.9 -30.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.02 151.93 3.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -117.87 -37.3 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.45 163.37 38.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.67 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 4.1 mm-40 -41.02 -70.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.52 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -34.52 -45.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 67.9 mt -62.32 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.0 m-70 -68.62 -41.13 79.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.81 -59.15 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.6 mtmp? -51.3 -48.09 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.89 -53.6 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -58.73 -47.52 84.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -59.97 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.28 -36.62 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.917 ' CE2' HG21 ' A' ' 75' ' ' ILE . 7.7 t80 -57.36 -65.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 21.9 mt-10 -62.69 -0.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.908 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 19.7 tttp -92.77 -54.43 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.5 m-85 -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.917 HG21 ' CE2' ' A' ' 71' ' ' TYR . 45.3 mm -54.79 -69.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.732 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.07 145.2 17.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 23.8 m -70.78 -39.09 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' HE21 ' A' ' 76' ' ' GLN . 32.9 t70 -71.27 18.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.908 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -92.95 143.1 26.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -25.3 28.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.269 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -108.07 17.96 21.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 0.4 OUTLIER -49.55 110.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 27.7 m -94.74 176.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -84.42 108.95 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -124.93 144.69 50.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.9 p-10 -66.06 161.6 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -61.37 -54.03 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -51.34 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.1 m -46.3 -58.91 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 14.2 tttm -47.94 -43.52 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' VAL . 5.1 tp10 -67.64 -63.72 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.4 t -36.08 -44.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 108' ' ' ALA . 87.9 mt -68.75 -45.74 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -51.46 -44.73 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -85.55 -31.41 22.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 22.5 m -93.46 18.02 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.443 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -74.15 -10.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.665 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.8 t -105.98 -17.76 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 20.6 pt20 -117.98 29.39 0.13 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.8 Cg_endo -69.72 154.66 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.465 ' H ' ' CB ' ' A' ' 104' ' ' SER . 61.5 p -136.13 177.93 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.13 -24.85 67.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -104.88 17.96 23.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.465 ' CB ' ' H ' ' A' ' 101' ' ' THR . 4.6 m -85.46 -69.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.3 m-85 -43.21 -34.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' PHE . 24.1 t70 -34.96 -46.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -55.11 -42.11 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -51.23 -42.8 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 t -49.49 -49.81 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -57.27 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.496 HG21 ' CD1' ' A' ' 47' ' ' PHE . 90.4 t -58.57 -43.38 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.27 -46.53 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -72.81 -48.46 37.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.34 -40.39 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 118' ' ' GLN . 70.0 mtm -76.54 -60.7 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 tt0 -45.65 -20.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 116' ' ' MET . 10.4 mm100 -61.77 -69.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.9 -37.87 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 71.5 m -49.88 -50.3 46.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 37.4 t80 -66.27 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -42.49 -47.74 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 mtt180 -63.45 -46.67 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 66.6 t80 -48.32 -40.8 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 74.8 mt -62.34 -35.45 79.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -97.63 14.88 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.3 p -98.2 132.32 43.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -50.03 -46.1 52.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 35' ' ' PHE . 94.8 mt -45.6 -44.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.4 t80 -69.97 -46.08 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 128' ' ' ASP . 13.6 mt -63.96 -26.14 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 133' ' ' LEU . 26.3 t70 -73.92 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.625 HD12 ' C ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -37.58 -42.21 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 135' ' ' SER . 4.3 ptp -88.51 -36.18 16.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 134' ' ' MET . 6.5 t 52.21 43.8 30.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.8 147.21 50.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -51.89 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.2 p -67.49 -42.83 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 m -45.79 -43.26 13.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -73.27 158.97 34.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.863 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -133.09 119.46 20.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 46.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -114.17 152.64 30.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -105.23 -37.97 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.54 -171.29 12.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -110.98 109.42 57.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -35.83 11.92 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.655 2.236 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 11' ' ' GLU . 2.6 pm0 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 48.1 mt-10 -83.82 -40.51 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.16 -30.96 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -76.8 -39.19 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.8 m0 -39.41 -59.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.08 -35.62 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 16' ' ' GLY . 68.5 mt-10 -32.12 -59.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . 69.5 m -157.13 156.92 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 8.4 t80 -55.45 -40.05 71.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -52.63 -60.81 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 18' ' ' SER . 6.8 mptt -40.43 -53.99 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 48' ' ' TRP . 46.7 mt -58.31 -47.02 85.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 t -43.0 -44.02 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 5.0 t-80 -88.77 140.88 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 2.9 tpm_? -71.14 -57.02 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 5.6 m-20 -41.16 -58.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.8 28.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 45' ' ' ILE . 67.7 tp -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -48.96 -61.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.82 -45.5 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.02 -49.53 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 HG21 ' A' ' 45' ' ' ILE . 16.0 m -51.87 -44.22 63.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 34' ' ' ARG . 5.7 mtp85 -52.66 -48.51 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 129' ' ' ILE . 6.4 t80 -49.52 -43.63 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.13 -46.43 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.81 -47.9 8.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -95.55 12.43 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 52.22 32.03 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.32 16.7 14.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -60.6 -40.62 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -36.5 -34.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 19.7 m-20 -57.67 -49.79 75.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.805 HD11 HD11 ' A' ' 29' ' ' LEU . 8.1 tp -75.41 -30.66 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' OE2' ' A' ' 42' ' ' GLU . 5.0 mm-40 -50.79 -49.97 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 77.0 t80 -62.33 -41.78 98.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.669 ' CE2' HD13 ' A' ' 23' ' ' LEU . 19.0 t90 -56.78 -38.07 71.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.49 -55.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -47.37 -30.31 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' PHE . 36.7 m -69.32 -64.44 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -49.18 -26.16 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.26 -18.27 20.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.733 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -70.14 -48.73 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -70.12 -27.88 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 7.0 mtpm? -48.49 -29.02 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -53.67 166.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 9.1 ptpp? -117.79 -36.84 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -101.82 167.93 18.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.741 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.8 Cg_endo -69.88 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -39.24 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -44.25 -47.99 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 60' ' ' PRO . 62.6 mt -53.09 -52.91 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -53.65 -53.04 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -49.6 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -52.83 -51.06 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -48.07 -58.07 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -51.29 -58.52 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.28 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' A' ' 74' ' ' PHE . 36.9 mt -48.29 -41.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.597 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 1.8 t80 -58.01 -62.36 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.597 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 54.5 mt-10 -66.15 -3.6 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.62 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 9.7 ttpt -93.11 -65.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 1.7 m-85 -97.92 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 85' ' ' LEU . 47.1 mm -35.23 -68.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.1 pt20 -53.58 142.58 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -81.64 171.11 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 77' ' ' THR . 33.3 t70 52.35 32.1 10.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.059 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -105.04 175.96 1.94 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.695 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 1.059 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -37.3 9.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -116.29 17.99 15.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 8.8 pt-20 -52.01 130.01 28.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 81' ' ' LYS . 18.5 m -122.89 171.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -75.94 107.58 8.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 75' ' ' ILE . 26.4 mt -129.81 143.62 50.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -60.45 149.52 33.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.35 -60.93 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.2 t60 -45.07 -53.16 8.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -54.91 -45.44 74.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -62.01 -52.75 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.44 -49.87 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 88' ' ' HIS . 93.4 t -52.16 -47.47 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.57 -41.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 m -57.45 -43.78 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.64 -27.1 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 t -97.11 18.02 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.432 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.7 tp -73.91 -5.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.673 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 24.7 p -107.3 -20.86 13.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 77.6 mt-30 -118.01 28.37 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.76 122.43 9.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.584 2.189 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -97.67 178.52 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 55' ' ' LYS . 78.5 mt -63.75 -30.24 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -97.33 18.02 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -69.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 106' ' ' ASP . 20.2 m-85 -50.28 -34.58 23.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.2 t0 -32.45 -45.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.91 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.7 90.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -50.6 -41.03 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 5.3 t -63.2 -45.5 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 115' ' ' LEU . 89.7 t -56.32 -48.58 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -40.68 -42.52 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 110' ' ' SER . 48.9 mt-30 -73.94 -43.88 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 112' ' ' VAL . 5.5 mt -48.79 -45.05 39.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 120' ' ' SER . 57.4 mtm -73.01 -52.33 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 121' ' ' TYR . 16.2 tp10 -48.41 -17.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 116' ' ' MET . 6.2 mt-30 -63.48 -69.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.89 -38.0 3.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 116' ' ' MET . 2.0 m -49.32 -39.77 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.525 ' CD2' ' OE1' ' A' ' 117' ' ' GLU . 26.2 t80 -74.33 -65.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.9 p -44.55 -43.48 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -65.45 -48.0 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 53.0 t80 -47.65 -50.05 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.06 -24.96 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -100.88 -22.36 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 p -56.51 131.32 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -51.94 -36.64 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 35' ' ' PHE . 91.4 mt -52.27 -41.02 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -73.8 -62.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.6 -27.43 26.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.79 -61.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.631 HD12 ' C ' ' A' ' 133' ' ' LEU . 0.5 OUTLIER -42.2 -36.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 135' ' ' SER . 3.5 ptp -92.88 -35.67 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.8 p 50.93 40.03 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.59 145.72 31.69 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.396 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.2 p -82.89 -62.11 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t -60.6 125.46 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -119.87 165.09 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -104.46 117.38 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.98 -51.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -54.31 -61.72 2.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -60.5 125.26 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.15 -159.8 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -126.6 147.54 61.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.72 0.772 . . . . 0.0 110.78 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.81 -21.21 33.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -78.1 -33.47 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 71.8 mt-10 -77.9 -30.16 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -75.02 -49.62 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 9' ' ' PRO . 4.0 p -56.12 -33.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.65 -43.78 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' N ' ' A' ' 28' ' ' GLY . 43.4 m0 -47.31 -41.76 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.53 -29.34 11.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -44.72 -64.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -144.37 173.0 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -74.92 -36.78 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.62 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -55.39 -42.03 73.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 32' ' ' PHE . 12.5 tp -59.92 -55.96 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 19' ' ' PHE . 36.7 mt -58.66 -53.57 56.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -39.57 -40.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 11' ' ' GLU . 11.2 t-80 -82.64 148.31 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -77.81 -59.08 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -44.75 -54.03 6.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' N ' ' CH2' ' A' ' 15' ' ' TRP . . . -58.63 -50.76 63.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 HD11 ' A' ' 45' ' ' ILE . 55.5 tp -47.73 -50.15 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.86 -58.79 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.9 -50.45 46.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 34.3 t80 -54.01 -55.41 27.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.3 m -44.42 -48.08 9.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CA ' HD12 ' A' ' 129' ' ' ILE . 19.0 t80 -46.84 -40.62 14.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 13.8 mt -71.88 -45.74 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -44.89 -47.81 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -54.72 -34.51 62.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.53 11.29 38.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 52.28 35.24 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 -4.82 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -40.56 -43.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 10.7 pm0 -34.21 -34.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 51.9 m-20 -57.78 -57.73 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -66.05 -27.36 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.52 -42.62 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.513 ' HD2' HG21 ' A' ' 112' ' ' VAL . 52.7 t80 -70.74 -40.61 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -56.02 -42.37 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.8 mt -69.31 -47.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -41.96 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 47.6 m -56.43 -53.65 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -51.95 -38.46 56.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.45 -22.42 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' ' 51' ' ' CYS . 11.7 t80 -62.83 -46.31 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -61.79 -45.36 94.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' LYS . 29.1 mtpt -33.2 -34.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.7 t -52.1 145.6 10.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -113.81 -37.79 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.77 169.64 30.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.1 Cg_endo -69.78 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -44.15 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.15 -45.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 60' ' ' PRO . 71.6 mt -59.24 -51.65 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -53.52 -53.88 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 65' ' ' LEU . 7.8 mp -55.83 -53.92 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -54.36 -48.99 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.81 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -66.55 -55.49 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 19.5 mt -56.37 -37.91 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 6.1 t80 -55.93 -61.5 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.66 -4.06 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 15.6 tttp -91.72 -68.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 81' ' ' LYS . 1.6 m-85 -98.34 -61.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 38.1 mm -35.83 -67.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.0 pt20 -53.82 138.67 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -77.15 173.31 12.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' ' 77' ' ' THR . 29.1 m-20 50.49 31.94 6.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 168.94 7.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.2 Cg_endo -69.87 -27.14 26.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 29.9 mmtt -118.03 18.0 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 77' ' ' THR . 8.8 tm-20 -52.13 117.55 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 74' ' ' PHE . 28.8 m -109.85 173.78 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -91.61 102.03 14.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.96 151.11 36.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.39 144.94 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.51 -50.21 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -61.39 -64.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -46.62 -42.79 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -64.06 -40.33 96.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 94' ' ' THR . 10.0 tt0 -75.16 -62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.5 p -38.25 -40.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.452 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -69.14 -37.8 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 91' ' ' GLU . 94.6 m -63.56 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -86.15 -21.26 27.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.1 m -107.29 18.04 22.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -70.62 -7.23 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.669 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 31.3 p -104.76 -20.93 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.818 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 15.3 mm-40 -118.06 29.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 p -95.86 174.42 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.64 -29.95 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -95.91 18.11 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 t -79.02 -70.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 13.2 m-85 -51.05 -34.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 32.2 t70 -35.33 -43.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.54 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.84 -48.7 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -46.36 -43.25 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.3 t -59.45 -42.49 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -62.13 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.513 HG21 ' HD2' ' A' ' 47' ' ' PHE . 57.9 t -54.93 -43.32 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -49.62 -48.25 49.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 28.0 mt-30 -64.08 -37.49 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 9.2 mt -65.87 -27.09 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' A' ' 120' ' ' SER . 52.7 mtm -93.76 -12.65 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 6.8 tm-20 -95.88 -17.11 21.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.566 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -57.89 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -35.92 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 116' ' ' MET . 13.1 t -52.81 -32.99 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 5.8 t80 -71.05 -66.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.6 t -56.22 -33.73 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -62.28 -52.03 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 62.9 t80 -45.07 -37.03 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 122' ' ' THR . 11.4 mt -57.75 -43.86 85.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -96.4 17.48 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 p -89.06 138.17 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 131' ' ' LEU . 35.8 t0 -45.15 -46.87 12.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.504 HD12 ' CA ' ' A' ' 35' ' ' PHE . 71.0 mt -50.86 -56.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.805 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.2 t80 -50.91 -43.9 59.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 128' ' ' ASP . 10.0 mt -68.81 -32.66 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -56.67 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.805 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.8 OUTLIER -41.44 -39.71 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.1 ptp -89.0 -34.95 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 134' ' ' MET . 7.3 t 53.89 44.15 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -140.85 137.03 7.95 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 132.73 54.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.5 m -60.17 -48.73 80.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.6 t -36.25 -48.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -68.63 136.24 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.44 -88.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -89.66 153.34 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -88.79 -45.37 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 135.46 3.58 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -124.73 143.36 43.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.716 0.769 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -8.37 23.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 9.6 tp10 -77.11 -33.97 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 11.5 pt-20 -91.51 -50.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . -49.75 -35.32 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.1 p -57.97 -36.02 54.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' GLU . 27.2 mtmt -79.62 -42.69 24.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.2 m0 -36.05 -46.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.71 -42.3 77.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mt-10 -33.51 -63.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.8 p -135.42 151.46 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.85 -34.87 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.36 59.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -40.18 -59.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -41.82 -60.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -53.0 -44.19 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -47.08 -41.78 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.86 132.24 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -59.4 -57.44 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -41.13 -51.09 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.49 -48.82 79.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.17 -49.94 70.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.768 0.318 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.87 -55.91 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.11 80.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 68.3 t80 -54.29 -49.81 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -56.01 -52.44 64.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -45.31 -52.3 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 123' ' ' ARG . 4.5 t80 -49.44 -42.78 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 45' ' ' ILE . 19.0 mt -72.8 -42.85 63.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -44.6 -48.46 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -59.91 -36.42 76.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -89.88 8.94 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 52.79 33.7 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -112.98 -7.2 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pm0 -43.95 -41.22 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -35.65 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.599 ' O ' HG11 ' A' ' 112' ' ' VAL . 50.2 m-20 -66.26 -58.28 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -65.4 -40.46 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 6.2 mt-10 -43.51 -48.08 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HD2' HG21 ' A' ' 112' ' ' VAL . 71.1 t80 -63.44 -44.1 95.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 17.7 t90 -50.05 -40.17 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.86 -55.45 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.88 -43.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.5 m -58.88 -49.34 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 61.3 mm-40 -50.71 -50.34 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.02 -28.78 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 5.5 t80 -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -73.23 -40.58 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -37.58 -33.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -52.33 150.7 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -116.9 -37.8 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.7 165.94 31.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -38.34 -68.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -39.34 -65.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 71.5 mt -35.91 -55.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -53.32 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mp -49.64 -59.31 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -51.45 -42.71 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.82 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -64.41 -58.44 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.28 -54.97 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.66 -37.49 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 75' ' ' ILE . 3.9 t80 -58.04 -60.41 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 54.7 mt-10 -64.84 -3.69 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 tttp -94.06 -58.56 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 15.0 m-85 -108.77 -62.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 71' ' ' TYR . 46.3 mm -32.47 -73.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 72' ' ' GLU . 2.2 pt20 -52.81 165.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -98.72 -27.75 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.96 17.95 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.87 154.71 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.92 -32.78 17.24 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 22.0 mmtt -103.44 18.06 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.05 128.44 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG2' HH22 ' A' ' 111' ' ' ARG . 32.7 m -114.41 157.47 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.571 ' O ' ' NH2' ' A' ' 111' ' ' ARG . 4.4 m-20 -77.95 102.18 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD23 ' HE ' ' A' ' 111' ' ' ARG . 15.5 mt -102.99 140.62 37.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' PHE . 1.4 m-20 -52.07 135.24 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -32.48 -51.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -68.23 -57.45 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.493 HG21 HD22 ' A' ' 85' ' ' LEU . 96.8 m -45.52 -35.62 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.61 -49.56 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' THR . 19.4 tt0 -63.25 -59.4 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -40.0 -47.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.57 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 98.1 mt -66.62 -36.6 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLU . 30.0 m -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.196 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -86.23 -16.18 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -109.75 17.93 20.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.448 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -77.0 -7.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.681 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.1 p -106.28 -23.61 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.829 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 7.4 mm100 -118.09 28.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.829 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.74 126.14 12.97 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.407 ' N ' ' HB2' ' A' ' 104' ' ' SER . 60.6 p -97.58 178.27 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.6 -23.53 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -104.72 16.7 25.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 101' ' ' THR . 1.4 t -69.03 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' ASP . 29.4 m-85 -51.13 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 105' ' ' PHE . 3.1 t70 -35.66 -46.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -56.06 27.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -56.46 -47.92 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -48.31 -45.53 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -59.1 -24.61 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.824 ' HE ' HD23 ' A' ' 85' ' ' LEU . 1.9 tmm_? -73.61 -61.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.615 HG22 ' NH1' ' A' ' 111' ' ' ARG . 26.2 t -56.4 -43.08 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -44.86 -39.35 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 115' ' ' LEU . 52.6 mt-30 -75.41 -63.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.755 HD12 ' NH1' ' A' ' 111' ' ' ARG . 6.2 mt -34.09 -38.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' GLN . 78.8 mtm -74.72 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 117' ' ' GLU . 6.4 tm-20 -42.38 -22.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' MET . 36.5 mt-30 -59.1 -70.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -37.69 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' MET . 12.2 m -46.9 -46.71 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' A' ' 125' ' ' LEU . 19.5 t80 -69.23 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.4 p -44.02 -38.39 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 12.8 ttm180 -74.65 -37.2 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 73.4 t80 -62.74 -40.04 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 68.9 mt -59.7 -25.22 64.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -112.85 15.31 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 p -88.18 124.12 33.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -40.15 -41.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -54.46 -54.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.632 ' HA ' HD23 ' A' ' 133' ' ' LEU . 1.0 OUTLIER -60.57 -42.8 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.08 -28.14 66.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -76.91 -57.69 3.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.6 OUTLIER -41.25 -37.12 0.89 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 135' ' ' SER . 3.7 ptp -89.23 -32.72 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 134' ' ' MET . 21.5 p 54.48 40.55 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.92 162.18 51.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 166.56 27.11 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.704 2.269 . . . . 0.0 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 t -76.1 122.21 23.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 m -91.42 -57.1 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.69 -38.27 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -74.93 -42.1 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.498 ' CZ3' ' HA2' ' A' ' 28' ' ' GLY . 39.4 m0 -45.21 -39.77 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -55.26 -33.68 58.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.1 mm-40 -35.74 -48.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -162.93 157.13 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 24.0 t80 -57.29 -47.65 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -53.08 -51.24 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -43.87 -48.41 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.2 tp -57.52 -51.91 67.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 30.6 mt -57.93 -50.2 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -37.24 -43.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -92.16 140.11 29.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -63.83 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -43.92 -57.46 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.94 -55.53 17.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.411 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 23' ' ' LEU . 58.6 tp -54.12 -58.84 5.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.13 60.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.708 ' HB2' HD21 ' A' ' 22' ' ' LEU . 16.6 t80 -55.21 -47.47 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.545 HG23 HG21 ' A' ' 45' ' ' ILE . 87.5 m -59.38 -47.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.204 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -45.16 -50.3 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 123' ' ' ARG . 4.1 t80 -51.87 -44.63 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.7 mt -69.27 -43.29 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 54.2 mttt -48.6 -46.1 38.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -61.96 -34.98 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -93.76 13.69 21.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 52.16 34.73 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 -13.99 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' ILE . 3.1 pm0 -40.65 -34.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 16.0 pt-20 -39.98 -38.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -59.94 -57.15 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.0 tp -61.88 -31.93 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.41 -42.11 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HD2' HG21 ' A' ' 112' ' ' VAL . 40.7 t80 -69.98 -45.68 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.628 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 29.3 t90 -52.39 -39.69 61.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' CYS . 15.4 mt -66.86 -66.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.0 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ILE . 94.5 m -68.3 -67.12 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 1.1 pp20? -42.77 -32.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -83.98 -36.22 23.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 t80 -53.22 -41.82 65.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 52' ' ' GLU . 7.6 mtmp? -61.25 -30.79 70.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -79.7 14.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -71.3 157.03 38.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -121.31 123.71 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.66 171.5 30.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 Cg_endo -69.75 -36.06 11.51 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 65' ' ' LEU . 6.6 tp60 -52.08 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -47.5 -46.88 27.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.487 HG23 ' CE1' ' A' ' 54' ' ' PHE . 31.3 mt -58.73 -44.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.47 -52.3 53.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.8 mp -54.92 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -52.85 -43.0 65.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -56.74 -57.14 13.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -53.28 -49.91 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -57.76 -66.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.437 HG23 ' CD1' ' A' ' 74' ' ' PHE . 57.5 mt -50.35 -38.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.498 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -59.63 -64.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 36.8 mt-10 -68.14 0.67 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 21.0 tttp -97.06 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 7.6 m-85 -98.03 -62.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 40.4 mm -31.93 -68.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.672 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 5.5 pt20 -56.81 152.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 79' ' ' ALA . 6.8 m -91.03 -31.98 16.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 15.9 t0 -73.17 17.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -104.79 161.48 22.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.74 -46.06 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -90.2 17.99 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 118.21 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.2 m -101.04 171.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -77.1 104.45 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.548 ' HG ' HG23 ' A' ' 83' ' ' VAL . 69.0 mt -126.59 160.92 29.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.22 143.62 47.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.91 -57.2 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -52.15 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.1 m -42.54 -40.54 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.37 -44.73 62.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.76 -62.11 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.8 -47.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.563 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 95.1 mt -65.02 -43.73 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.8 m -54.03 -41.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -85.52 -33.83 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.8 t -91.89 17.3 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.3 tp -66.86 -12.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.645 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.7 t -104.49 -15.99 15.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.797 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 80.0 mt-30 -117.99 30.41 0.15 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.87 148.83 65.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.6 p -134.2 177.75 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.18 -29.6 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -98.42 17.45 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -93.59 -63.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 8.1 m-85 -52.3 -38.08 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 17.9 t70 -32.79 -42.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.91 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.86 -48.23 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 56.6 tt0 -49.56 -41.17 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -54.91 -56.29 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 47' ' ' PHE . 98.0 t -65.82 -53.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -39.18 -40.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -75.91 -53.44 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.2 mt -37.82 -49.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.468 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 35.6 mtm -69.42 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.2 tm-20 -43.37 -26.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -74.13 -67.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 120' ' ' SER . 72.8 m-20 -98.02 -66.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ASP . 55.9 m -31.95 -60.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -51.61 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.9 p -46.22 -58.11 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 23.2 tpp85 -53.98 -40.67 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 25.5 t80 -61.36 -40.22 93.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.13 -36.19 63.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -95.5 17.91 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.4 p -91.33 144.12 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.61 -52.83 35.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -43.8 -48.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 65.1 t80 -66.2 -66.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' TYR . 28.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.6 -40.09 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -72.58 -43.06 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.2 m0 -44.35 -49.4 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.91 -38.65 65.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLY . 16.0 mm-40 -37.8 -46.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 t -160.83 162.36 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 29.7 t80 -62.37 -40.51 96.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.45 -42.98 99.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -52.67 -45.85 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 7.3 tp -60.96 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 19' ' ' PHE . 38.0 mt -57.81 -49.34 76.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -37.88 -48.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CB ' ' HE1' ' A' ' 15' ' ' TRP . 43.1 t-80 -87.13 136.62 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -64.21 -59.29 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.92 -54.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.98 -42.71 99.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.56 -48.85 80.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -49.98 -56.67 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.18 -42.18 50.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 41.6 t80 -58.15 -62.14 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 m -43.13 -45.07 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -50.43 -60.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.24 -45.46 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 36.2 mt -67.8 -46.69 71.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -44.36 -49.19 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -55.89 -39.6 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.64 13.26 22.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 52.44 37.01 21.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -116.53 13.2 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.2 pm0 -61.12 -40.56 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' HG12 ' A' ' 83' ' ' VAL . 17.0 pt-20 -39.51 -41.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -52.33 -53.24 46.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -71.63 -35.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.32 -42.98 43.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.7 ' CD2' HG21 ' A' ' 112' ' ' VAL . 18.3 t80 -66.24 -41.59 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -57.52 -42.2 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.06 -53.1 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.53 -43.79 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 93.4 m -51.67 -53.46 38.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -52.01 -48.16 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.8 -39.5 94.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 45.4 t80 -59.18 -42.45 90.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HA ' HD22 ' A' ' 102' ' ' LEU . 47.9 mtmt -64.46 -44.73 90.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -38.87 -37.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t -52.43 148.92 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -113.89 -38.05 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.63 166.0 30.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.84 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.7 Cg_endo -69.96 -35.45 12.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -44.28 -67.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -48.44 -49.33 35.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 60' ' ' PRO . 46.4 mt -48.71 -41.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -70.51 -58.42 3.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.8 mp -54.45 -60.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -52.13 -44.81 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -46.02 -56.5 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.23 -61.74 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.18 -58.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.482 HG23 ' HD2' ' A' ' 74' ' ' PHE . 45.1 mt -63.29 -40.97 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -57.16 -60.62 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 62.5 mt-10 -66.19 -1.52 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttm -96.41 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.4 m-85 -98.08 -62.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 49.9 mm -32.03 -72.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.47 158.95 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.49 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.5 m -94.52 -31.95 13.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 14.6 t0 -72.15 18.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.88 156.59 35.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.4 Cg_endo -69.76 -32.21 19.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.56 18.03 22.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.03 119.71 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.3 m -104.44 175.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.665 ' OD1' HD13 ' A' ' 115' ' ' LEU . 1.9 p30 -77.72 107.0 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 75' ' ' ILE . 41.8 mt -129.3 154.13 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.31 147.58 53.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -55.89 -53.44 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -56.17 -43.42 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.084 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -69.89 -43.56 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.49 -58.9 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -42.85 -47.34 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.222 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.569 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -64.35 -42.32 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.5 m -52.51 -41.81 63.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.38 -35.18 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -91.13 18.04 7.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.454 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -69.29 -9.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.696 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.1 t -106.64 -15.5 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.835 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 mm100 -118.03 27.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.835 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.7 Cg_endo -69.74 149.41 67.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -133.86 177.86 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 55' ' ' LYS . 78.9 mt -66.82 -27.08 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -100.75 17.96 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.1 m -89.77 -66.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 106' ' ' ASP . 9.2 m-85 -47.82 -37.09 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.8 t70 -32.37 -45.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.85 -56.37 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.77 93.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -54.0 -43.23 69.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -60.15 -38.51 83.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -57.7 -60.57 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.7 HG21 ' CD2' ' A' ' 47' ' ' PHE . 83.9 t -62.31 -51.85 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -40.9 -51.04 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 115' ' ' LEU . 26.4 mm100 -66.16 -56.79 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 ' OD1' ' A' ' 84' ' ' ASN . 5.7 mt -35.21 -50.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.498 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 57.9 mtm -66.57 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 32.8 tt0 -39.95 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' MET . 53.5 mm-40 -69.88 -66.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' SER . 2.1 m-20 -98.0 -63.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 3.0 m -32.04 -56.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.456 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 33.9 t80 -57.11 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.7 p -42.12 -45.34 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.11 -34.13 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.06 -43.55 82.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.62 -36.48 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.71 15.85 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.4 p -90.31 129.83 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.39 -40.59 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.6 -51.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.19 -62.07 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.725 HG13 ' HD3' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -51.98 -38.4 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.725 ' HD3' HG13 ' A' ' 13' ' ' VAL . 4.4 mmtp -77.04 -45.48 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CD2' HD12 ' A' ' 22' ' ' LEU . 52.3 m0 -42.84 -41.6 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -57.19 -35.58 71.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLY . 6.2 mm-40 -34.12 -59.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -157.65 148.0 20.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 33.4 t80 -42.41 -49.47 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -56.1 -43.15 77.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -42.05 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 15' ' ' TRP . 8.3 tp -62.81 -59.17 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 19' ' ' PHE . 19.7 mt -48.09 -50.31 28.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.1 t -37.32 -42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 19.7 t-80 -84.12 139.52 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -70.53 -53.7 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 m-20 -51.78 -49.95 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.503 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -63.51 -45.39 94.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.489 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.9 -45.41 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.15 -47.02 79.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.51 92.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 36' ' ' LEU . 85.6 t80 -53.51 -60.04 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.534 HG22 ' CG ' ' A' ' 37' ' ' LYS . 92.4 m -41.03 -53.86 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.181 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' PHE . 95.6 mtt180 -39.82 -64.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' HD12 ' A' ' 129' ' ' ILE . 17.2 t80 -37.5 -43.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mt -74.27 -46.85 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.534 ' CG ' HG22 ' A' ' 33' ' ' THR . 20.6 mtpt -47.06 -45.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -59.33 -37.77 78.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -95.13 14.24 22.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 52.44 34.28 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -109.17 -9.72 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.46 -43.18 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.533 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.3 pt-20 -33.92 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.549 ' HA ' HG11 ' A' ' 83' ' ' VAL . 10.6 m-20 -63.02 -58.64 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -65.48 -37.93 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -47.69 -43.46 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 75' ' ' ILE . 82.1 t80 -68.93 -44.8 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 43.6 t90 -51.2 -47.35 62.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.62 -53.71 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.82 -41.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.56 -56.17 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.3 mm-40 -46.83 -45.48 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.03 -26.31 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 7.7 t80 -63.22 -48.07 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 1.4 ptpm? -64.26 -38.69 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 54.4 mttp -38.15 -34.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.22 154.34 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -117.36 -37.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.59 163.84 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.592 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.82 -51.24 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.545 ' O ' HD13 ' A' ' 65' ' ' LEU . 4.4 tp60 -39.01 -65.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -45.97 -44.33 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 60' ' ' PRO . 61.7 mt -60.34 -51.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -58.12 -40.27 80.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.7 mp -69.27 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.7 mtmp? -53.36 -41.6 65.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.41 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.77 -51.4 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.5 mt -52.19 -41.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.45 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 3.9 t80 -50.27 -68.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 37.5 mt-10 -63.74 -4.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 39.9 tttt -82.5 -67.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -110.52 -49.04 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 46.9 mm -43.08 -66.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 4.4 pt20 -58.94 144.63 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -78.3 177.97 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 77' ' ' THR . 5.6 m-20 47.39 32.09 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.856 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.57 169.55 7.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.856 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.75 -31.54 20.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.609 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.4 mmtp -117.99 17.4 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -51.98 134.18 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' HG ' ' A' ' 85' ' ' LEU . 35.4 m -124.19 165.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -70.76 103.33 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 83' ' ' VAL . 85.8 mt -130.81 149.0 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.8 151.53 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -56.62 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.39 -41.3 13.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -63.04 -38.83 92.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.03 -39.71 60.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.79 -58.95 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.2 p -43.66 -46.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.556 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 93.1 mt -67.4 -42.41 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.6 m -55.98 -38.27 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -87.92 -33.01 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -91.06 17.96 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.449 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -71.81 -7.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.676 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.2 t -106.26 -20.79 13.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.822 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 25.4 pt20 -117.98 28.85 0.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.86 140.31 41.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.1 p -113.56 178.34 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 55' ' ' LYS . 86.6 mt -58.25 -18.47 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.22 18.04 20.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 t -61.45 -51.34 69.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -81.37 15.37 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.46 -51.87 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.81 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -47.0 -42.66 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -59.27 -39.82 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -61.33 -55.53 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 115' ' ' LEU . 87.6 t -60.01 -55.84 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t80 -36.32 -45.73 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' LEU . 17.3 mm-40 -70.51 -52.44 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 112' ' ' VAL . 4.1 mt -36.37 -43.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.448 ' CA ' ' HB3' ' A' ' 120' ' ' SER . 75.5 mtm -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 24.2 tt0 -46.79 -22.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -62.41 -69.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.86 -37.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.448 ' HB3' ' CA ' ' A' ' 116' ' ' MET . 32.8 t -49.86 -61.15 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.8 t80 -49.33 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -49.55 -35.61 20.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 123' ' ' ARG . 10.8 ttm-85 -70.66 -46.69 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.15 -37.89 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 71.2 mt -59.36 -43.0 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -97.79 16.52 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.4 p -87.78 152.52 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.72 -50.23 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' PHE . 90.9 mt -46.76 -47.19 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -67.56 -61.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.535 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.847 0.356 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.0 p -45.09 -39.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -72.74 -45.65 57.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.4 m0 -41.11 -42.38 1.99 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -56.74 -37.57 77.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLY . 33.5 mm-40 -37.81 -57.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -149.42 150.04 31.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.68 -26.86 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.35 -54.69 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -46.63 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.58 -47.63 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.0 mt -65.06 -53.2 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LEU . 8.1 t -34.4 -44.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -83.13 150.97 25.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -77.92 -57.48 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.71 -52.27 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.14 96.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 tp -64.47 -54.28 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.706 0.288 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.71 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.12 -54.71 22.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.618 ' CE2' HD11 ' A' ' 36' ' ' LEU . 63.7 t80 -41.23 -50.98 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' CG ' ' A' ' 37' ' ' LYS . 96.2 m -51.75 -60.92 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' THR . 47.4 mtm-85 -37.79 -54.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 4.9 t80 -47.86 -43.98 28.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.618 HD11 ' CE2' ' A' ' 32' ' ' PHE . 12.5 mt -72.83 -45.15 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' CG ' HG22 ' A' ' 33' ' ' THR . 9.3 mtpt -44.04 -49.76 8.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -58.44 -38.98 78.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -92.09 13.91 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 52.12 33.62 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.8 m -106.54 -11.0 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 pp20? -44.04 -43.6 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.1 pt-20 -37.12 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.0 m-20 -72.66 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 32' ' ' PHE . 9.1 tp -66.42 -33.0 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' ' OE1' ' A' ' 42' ' ' GLU . 7.9 mt-10 -47.02 -43.96 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -70.22 -45.56 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.439 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.9 t90 -46.34 -46.77 18.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.06 -47.85 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.43 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.55 -50.43 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 15.5 mm-40 -55.8 -54.64 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -60.86 -33.47 73.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 22.5 t80 -60.12 -34.05 72.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' LYS . 42.8 mtmt -68.89 -44.9 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 36.4 mttm -37.27 -39.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 m -52.31 144.28 13.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.31 -33.75 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 58' ' ' LYS . . . -86.03 164.87 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.72 -51.77 0.37 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -40.87 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.43 -53.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 60' ' ' PRO . 70.3 mt -48.23 -54.09 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -59.74 -53.67 55.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -49.52 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -58.03 -55.06 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.3 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -63.86 -50.59 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -59.05 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.86 -36.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.62 ' HD2' HD13 ' A' ' 97' ' ' ILE . 8.0 t80 -56.92 -68.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 48.3 mt-10 -63.89 -0.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.831 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 36.2 tttt -92.64 -53.2 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 9.2 m-85 -118.07 -45.28 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 71' ' ' TYR . 44.5 mm -50.93 -69.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 6.0 pt20 -52.0 147.5 7.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.4 m -75.1 -37.23 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -72.78 17.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -90.55 145.77 33.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.564 0.697 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.55 30.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.591 2.194 . . . . 0.0 112.305 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -115.46 18.03 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -50.44 115.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.32 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 104.65 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 75' ' ' ILE . 21.4 mt -126.54 139.92 52.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.18 144.29 57.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -45.13 -53.98 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -53.78 -55.69 24.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.1 m -49.09 -43.12 40.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -69.45 -44.66 70.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 40.2 tt0 -64.01 -64.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -38.71 -47.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 91.9 mt -66.07 -36.96 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 88.2 m -55.0 -43.41 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.42 -33.5 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 t -90.02 18.03 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.62 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -74.24 -13.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -106.67 -16.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 30.3 mm-40 -118.01 27.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.8 157.22 61.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.739 2.293 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 p -133.33 176.98 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.9 -23.41 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -104.92 17.08 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.2 t -86.62 -70.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASP . 18.2 m-85 -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' PHE . 8.7 t70 -37.28 -41.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.06 14.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.14 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -50.99 -48.06 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 t -55.89 -40.14 72.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -53.8 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.28 -50.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -43.28 -47.11 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 15.0 mm100 -69.15 -50.11 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.3 -49.66 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.466 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 53.9 mtm -64.41 -61.48 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -38.98 -29.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.6 mt-30 -53.22 -70.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.99 -37.72 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.466 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 67.4 m -47.63 -50.68 23.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.75 -59.62 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -49.77 -34.77 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 10.3 ttm180 -72.66 -49.66 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 58.7 t80 -51.78 -27.68 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.17 -30.27 63.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -103.12 16.96 25.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' ASP . 68.2 p -95.5 120.36 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.731 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -34.65 -41.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.22 -56.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -68.89 -43.41 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 128' ' ' ASP . 95.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.821 0.344 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.91 -35.72 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 52.4 mttt -73.84 -47.89 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -38.59 -53.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -44.18 -36.92 4.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' GLY . 35.3 mt-10 -33.58 -54.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -164.27 159.44 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 3.9 t80 -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.87 -45.6 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -54.09 -41.42 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.6 -61.17 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.17 -45.9 61.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -48.14 -42.01 28.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -80.89 146.62 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -55.42 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -53.15 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.63 -47.19 58.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.3 -54.44 37.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.325 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -48.92 -59.94 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.15 79.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 23.3 t80 -54.04 -49.63 68.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 92.4 m -50.81 -51.14 53.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -42.58 -61.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HA ' HD12 ' A' ' 129' ' ' ILE . 3.0 t80 -39.83 -43.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.639 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 47.1 mt -72.49 -49.44 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 33' ' ' THR . 20.4 mttt -43.3 -46.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -38.99 82.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -96.01 15.72 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.97 34.04 12.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.462 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -104.11 -11.61 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.3 pp20? -42.67 -46.5 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -34.47 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-20 -65.01 -58.95 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -64.22 -35.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -51.84 -46.1 64.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 89.6 t80 -65.36 -41.74 93.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -52.63 -46.57 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.35 -53.84 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.39 -25.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 81.4 m -78.59 -69.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -44.89 -24.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.93 -29.26 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -62.58 -36.62 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LYS . 16.7 ptpt -75.37 -37.34 60.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.5 mtpp -37.98 -37.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.12 155.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 -37.17 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.6 165.04 23.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.54 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.84 -42.88 2.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.92 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 2.9 tp60 -48.73 -45.17 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.766 HD11 HD21 ' A' ' 102' ' ' LEU . 95.0 mt -54.7 -43.34 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -63.44 -49.52 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.62 -61.1 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 69.2 mttt -54.79 -56.42 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.67 -55.2 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.39 -56.82 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.435 HG23 ' CE1' ' A' ' 74' ' ' PHE . 25.5 mt -49.11 -42.56 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 2.1 t80 -53.88 -66.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -64.01 -4.37 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 19.7 tttt -88.71 -69.48 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.02 -62.11 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' PHE . 43.5 mm -34.18 -67.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.497 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.6 pt20 -53.19 140.08 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -78.54 172.02 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.641 ' H ' HG22 ' A' ' 77' ' ' THR . 0.9 OUTLIER 51.2 32.14 7.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.906 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 171.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.906 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 55.0 Cg_endo -69.71 -31.82 20.0 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.2 mmtp -117.99 16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 3.0 pp20? -52.04 114.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.61 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.9 m -100.7 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -72.08 104.49 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' A' ' 83' ' ' VAL . 72.0 mt -136.7 141.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.05 140.61 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -43.84 -46.42 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -50.36 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.2 m -43.36 -47.39 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -61.35 -48.98 78.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -54.39 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -49.71 -46.22 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.34 -43.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.5 m -53.33 -44.37 68.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -84.22 -33.12 24.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 t -92.41 18.04 9.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.472 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -69.43 -11.0 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.659 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -104.07 -19.9 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.812 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 31.5 mt-30 -118.06 29.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.1 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.274 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -97.82 177.83 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.766 HD21 HD11 ' A' ' 63' ' ' ILE . 96.7 mt -69.86 -29.74 67.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -98.6 17.9 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -79.24 -70.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASP . 19.4 m-85 -44.87 -30.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -36.83 -41.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.11 77.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.444 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 52.8 tt0 -50.59 -39.65 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t -55.9 -55.26 34.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -43.36 -60.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.612 HG12 ' HE2' ' A' ' 116' ' ' MET . 76.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -41.7 -40.65 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -77.31 -51.74 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 7.1 mt -51.65 -34.32 37.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.612 ' HE2' HG12 ' A' ' 112' ' ' VAL . 62.3 mtm -80.18 -55.04 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 121' ' ' TYR . 37.6 tt0 -51.53 -16.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 115' ' ' LEU . 4.5 pt20 -102.71 -38.12 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.418 ' OD1' ' HD3' ' A' ' 123' ' ' ARG . 4.4 t0 -98.07 -70.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 36' ' ' LEU . 3.4 p -48.51 -45.09 36.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 125' ' ' LEU . 26.7 t80 -62.47 -67.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 p -39.65 -52.34 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 36.6 mtp180 -67.1 -48.84 66.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.72 -50.8 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 121' ' ' TYR . 87.5 mt -54.26 -35.32 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -103.5 17.5 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -91.47 136.91 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -45.28 -55.26 6.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 35' ' ' PHE . 75.0 mt -41.63 -52.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.29 -58.83 5.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -31.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 17' ' ' GLU . 39.9 mttm -78.8 -48.67 14.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 53.7 m0 -37.8 -43.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.56 -41.45 73.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LYS . 22.6 mt-10 -38.04 -64.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -141.29 153.17 45.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.4 t80 -60.41 -40.67 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -57.03 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -40.0 -47.75 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 15' ' ' TRP . 6.1 tp -55.38 -58.95 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.27 -50.01 65.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -39.47 -47.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.91 148.47 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -77.35 -55.25 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.93 -52.31 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.51 -54.35 37.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HD11 ' A' ' 45' ' ' ILE . 56.2 tp -46.57 -54.68 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -49.74 -55.0 15.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.11 78.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.682 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 25.2 t80 -52.88 -48.26 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.5 m -52.6 -53.08 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -38.75 -54.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 129' ' ' ILE . 26.8 t80 -48.68 -43.15 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 14.8 mt -72.59 -46.99 51.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' A' ' 33' ' ' THR . 22.7 mtpt -41.84 -41.62 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -65.2 -36.15 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt-10 -94.56 11.5 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 52.04 33.32 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -107.8 -17.7 14.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.5 pp20? -39.06 -42.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 83' ' ' VAL . 11.1 pt-20 -33.41 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' GLU . 75.9 m-20 -63.41 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.4 tp -60.2 -29.84 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.89 -45.26 71.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 44.0 t80 -68.5 -46.81 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 13.8 t90 -51.26 -37.51 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 HD21 ' A' ' 29' ' ' LEU . 14.2 mt -71.11 -55.05 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.35 -36.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 92.8 m -60.77 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -44.34 -37.69 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -82.49 -34.25 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.8 t80 -58.79 -46.21 88.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.37 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.64 -31.03 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 m -56.09 144.57 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 107.12 14.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.99 162.21 11.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.5 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 65' ' ' LEU . 9.2 tm0? -38.41 -70.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -43.37 -52.96 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 66.8 mt -48.77 -54.23 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -51.05 -51.45 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' OE1' ' A' ' 61' ' ' GLN . 22.1 mt -52.4 -67.03 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -53.53 -58.08 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -38.86 -45.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -62.82 -53.07 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -58.56 -62.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.7 mt -49.78 -39.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -59.46 -66.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 21.6 mt-10 -66.96 -1.16 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 73.0 tttt -92.64 -62.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 5.5 m-85 -104.04 -63.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.536 HD13 ' CD1' ' A' ' 85' ' ' LEU . 48.3 mm -32.05 -71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 6.2 pt20 -55.88 156.13 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.0 m -91.0 -30.36 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 16.9 t70 -72.81 18.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -104.8 156.86 35.35 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 52.7 Cg_endo -69.81 -40.38 5.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -95.67 17.89 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -52.0 121.9 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -105.0 176.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -82.09 104.38 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.536 ' CD1' HD13 ' A' ' 75' ' ' ILE . 27.1 mt -126.51 146.91 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.21 142.68 46.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 4.3 t80 -50.26 -54.55 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -53.37 -61.86 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -42.89 -42.13 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.54 -51.9 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -56.6 -50.25 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -51.58 -43.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 75' ' ' ILE . 95.6 mt -68.38 -43.05 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -54.27 -42.08 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -87.51 -32.91 19.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -91.16 18.12 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -73.29 -9.79 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.687 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -105.07 -19.73 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 46.9 mt-30 -118.0 27.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.83 135.36 30.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 19.7 p -107.35 175.41 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.86 -24.24 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.478 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 7.5 p80 -105.16 18.03 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -61.56 -60.74 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' ASP . 65.6 m-85 -68.2 -27.13 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.6 t0 -32.97 -44.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.94 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.62 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 48' ' ' TRP . 22.6 tt0 -51.31 -43.56 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.3 t -48.16 -46.76 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' PHE . 65.5 t -51.05 -51.13 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -45.3 -45.53 12.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 84' ' ' ASN . 3.6 mt -43.95 -37.98 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' GLN . 37.7 mtm -75.65 -69.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 12.4 tt0 -37.95 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 116' ' ' MET . 24.3 mm-40 -41.81 -70.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -117.97 -34.42 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.661 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -50.88 -49.32 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 19.4 t80 -69.46 -66.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.0 p -44.25 -46.45 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -69.87 -50.09 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 64.4 t80 -42.43 -40.73 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.75 -36.66 72.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -101.16 16.69 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.2 p -89.91 141.75 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 128' ' ' ASP . 7.9 t0 -57.47 -46.22 83.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -47.5 -52.49 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.2 t80 -59.45 -49.35 78.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.32 -36.01 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' TRP . 35.3 mttt -73.34 -50.26 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 50.9 m0 -36.85 -59.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -37.98 -39.87 0.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.545 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 40.0 mt-10 -35.1 -67.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -137.82 150.48 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.0 t80 -62.73 -28.78 70.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -67.21 -48.92 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 48.6 mttt -49.6 -40.71 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.82 -55.99 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 19' ' ' PHE . 74.4 mt -49.81 -53.55 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -44.24 -42.91 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 28' ' ' GLY . 24.6 t60 -73.58 143.67 46.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -78.1 -67.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.7 -54.13 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' H ' ' CD2' ' A' ' 25' ' ' HIS . . . -59.94 -43.02 98.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 45' ' ' ILE . 65.0 tp -57.43 -40.99 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.3 -61.71 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.52 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 28.1 t80 -55.13 -49.16 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.5 m -53.28 -51.67 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -44.83 -60.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 129' ' ' ILE . 41.6 t80 -39.49 -41.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 26.7 mt -74.15 -45.35 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.03 -46.55 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -61.43 -37.08 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.55 12.98 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 52.07 34.38 13.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -108.98 -11.6 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -45.24 -38.38 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -39.58 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-20 -74.29 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 29' ' ' LEU . 6.7 tp -65.56 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -50.4 -40.82 50.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t80 -72.62 -41.14 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.3 t90 -51.82 -43.7 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 59.6 mt -68.16 -53.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.04 -41.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' PHE . 75.2 m -59.47 -62.76 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.8 mm-40 -36.26 -51.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.39 -36.31 74.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 19.6 t80 -55.69 -33.71 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 102' ' ' LEU . 6.1 mttm -72.6 -29.58 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -83.02 17.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -71.04 164.45 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -126.94 132.93 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.14 167.03 3.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.69 29.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 65' ' ' LEU . 21.3 tp60 -63.78 -59.43 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -46.13 -48.56 17.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 21.7 mt -58.67 -47.5 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -58.85 -42.87 90.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 61' ' ' GLN . 10.0 mp -68.9 -60.09 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -52.91 -45.71 67.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.97 -56.61 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -65.05 -61.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.17 -46.34 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -77.37 -36.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -59.23 -60.54 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.1 mt-10 -65.04 -3.67 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.609 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 67.6 tttt -88.03 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 4.4 m-85 -110.8 -59.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 74' ' ' PHE . 40.5 mm -32.12 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.513 HE21 ' N ' ' A' ' 79' ' ' ALA . 7.5 pt20 -52.17 170.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -102.02 -30.04 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -74.76 17.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -101.42 155.53 36.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -39.79 6.19 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -96.44 18.01 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.6 pp20? -51.96 113.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 44' ' ' ASN . 33.0 m -92.87 179.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -78.41 102.16 7.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 30.7 mt -126.98 141.15 51.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -62.5 141.17 58.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.95 -57.47 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -44.16 -62.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -45.63 -42.84 11.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -65.89 -44.86 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.53 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.44 -48.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.579 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.9 mt -66.4 -44.4 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.3 m -50.62 -40.36 52.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -87.99 -32.52 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -89.78 17.64 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 9.5 tp -78.79 -7.71 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.678 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 5.2 t -105.24 -24.75 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.838 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.1 pm0 -118.17 27.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.0 Cg_endo -69.74 146.16 59.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.1 p -117.33 179.04 4.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 55' ' ' LYS . 13.4 mt -61.03 -13.17 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -110.57 17.89 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.2 t -66.41 -53.87 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 61.0 m-85 -78.2 9.48 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -60.61 -44.87 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -54.65 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.57 -53.34 7.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -44.58 -45.26 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -57.06 -48.17 79.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -56.81 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.67 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -44.89 -42.38 7.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -74.91 -46.61 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -46.69 -41.77 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 118' ' ' GLN . 72.4 mtm -75.64 -68.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 34.3 tt0 -36.87 -33.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 116' ' ' MET . 11.1 mm-40 -49.27 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.96 -37.25 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.414 ' HB2' ' C ' ' A' ' 116' ' ' MET . 67.6 m -48.15 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 21.9 t80 -58.2 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.1 p -40.75 -43.69 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 126' ' ' LYS . 22.0 mtt180 -68.81 -50.79 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 53.2 t80 -53.49 -28.97 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.34 -22.62 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -117.91 -8.03 10.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 128' ' ' ASP . 90.2 p -57.94 120.88 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 127' ' ' SER . 5.4 m-20 -32.72 -47.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' PHE . 78.9 mt -47.55 -52.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 2.9 t80 -60.04 -50.32 74.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.961 0.41 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -43.16 -37.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' TRP . 63.6 mttt -74.16 -47.05 38.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.62 ' CH2' ' CA ' ' A' ' 28' ' ' GLY . 36.9 m0 -35.58 -51.06 0.63 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.02 -44.27 13.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 46.6 mt-10 -36.29 -64.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.3 m -139.07 155.53 47.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 20.3 t80 -61.84 -48.69 79.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -44.08 -43.39 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -53.06 -45.42 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 32' ' ' PHE . 35.5 tp -57.62 -60.85 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 48' ' ' TRP . 37.3 mt -54.23 -48.59 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -41.54 -44.89 3.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -83.29 158.77 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.676 HH21 HD23 ' A' ' 29' ' ' LEU . 3.6 tpm_? -86.79 -58.06 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -48.05 -54.3 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.62 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -56.77 -48.82 74.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.562 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD23 HH21 ' A' ' 26' ' ' ARG . 40.2 tp -52.15 -52.82 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 mm-40 -50.48 -60.66 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.52 -43.58 11.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HB2' HD21 ' A' ' 22' ' ' LEU . 43.8 t80 -58.11 -49.35 77.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.9 m -50.27 -51.0 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -64.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 9.8 t80 -37.9 -43.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 30.4 mt -71.03 -47.13 60.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -43.79 -49.02 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -59.72 -37.08 77.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 25.1 mm-40 -91.15 14.08 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.16 31.94 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -116.56 16.58 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.6 pt-20 -35.71 -29.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 47.2 m-20 -60.24 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.3 tp -73.59 -36.27 46.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -43.22 -44.38 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 36.8 t80 -70.42 -48.1 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CE2' HD13 ' A' ' 23' ' ' LEU . 52.3 t90 -43.97 -46.25 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.0 mt -64.47 -46.89 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.59 -43.56 36.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -50.3 -57.14 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.98 -61.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HA ' ' CD ' ' A' ' 56' ' ' LYS . 26.0 t0 -53.02 -42.41 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 31.9 t80 -56.5 -45.55 80.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HA ' HD22 ' A' ' 102' ' ' LEU . 54.6 mtmt -62.55 -43.87 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 53' ' ' ASP . 20.4 mtpp -40.04 -36.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -52.44 149.26 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.99 -31.61 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . -97.15 166.29 23.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.632 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.4 Cg_endo -69.63 -42.09 3.85 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -58.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -55.99 -61.7 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 60' ' ' PRO . 22.6 mt -37.61 -54.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -54.68 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.22 -64.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -46.45 -46.96 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.54 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -58.12 -51.23 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.15 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.96 -39.15 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -58.22 -62.16 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 47.0 mt-10 -68.79 -0.69 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 8.3 tttp -95.04 -64.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 16.0 m-85 -102.62 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 34.7 mm -32.12 -73.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.512 HE21 ' N ' ' A' ' 79' ' ' ALA . 6.1 pt20 -52.09 161.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 79' ' ' ALA . 5.7 m -95.11 -32.65 12.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 76' ' ' GLN . 6.8 p-10 -71.6 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -105.57 155.81 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.48 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -84.55 17.99 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -52.06 119.73 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 43' ' ' GLU . 35.0 m -104.51 176.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -88.9 109.45 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.4 168.27 11.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.09 147.69 52.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 8.4 t80 -47.23 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 92' ' ' VAL . 2.6 t-80 -60.26 -61.05 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -40.46 -38.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 26.3 tttt -69.07 -47.35 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 5.5 tp10 -70.65 -59.37 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' CD2' ' A' ' 88' ' ' HIS . 1.0 OUTLIER -35.45 -47.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 97.7 mt -64.42 -43.61 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 59.9 m -55.49 -41.79 73.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.7 -25.73 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -100.43 17.89 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -72.96 -2.24 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.662 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.2 p -105.89 -24.26 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 57.2 mt-30 -118.03 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.3 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.9 p -106.05 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.635 HD22 ' HA ' ' A' ' 55' ' ' LYS . 57.7 mt -62.58 -27.93 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.21 17.01 13.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 -63.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 106' ' ' ASP . 14.9 m-85 -55.38 -34.98 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.2 t70 -35.81 -47.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -55.45 33.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.32 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -53.08 -41.55 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -61.1 -55.96 26.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 44' ' ' ASN . 89.8 t -65.17 -51.93 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.411 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 16.7 t80 -39.23 -46.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -70.73 -49.67 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 112' ' ' VAL . 7.3 mt -41.15 -38.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 113' ' ' TYR . 40.8 mtm -76.54 -60.58 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 7.2 tm-20 -49.39 -17.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.49 -71.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -117.95 -37.86 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.4 m -48.89 -43.98 39.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -71.24 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.6 p -42.87 -44.44 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 123' ' ' ARG . 7.2 mtp180 -69.15 -44.05 73.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 38.1 t80 -47.53 -37.03 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.59 -35.35 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -96.05 15.66 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.5 p -96.43 139.14 32.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -54.47 -43.29 71.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 57.9 mt -47.25 -57.55 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.8 t80 -53.34 -51.65 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.65 -41.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' GLU . 40.0 mttm -72.44 -43.81 63.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 40.9 m0 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -62.36 -41.61 99.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' LYS . 32.7 mt-10 -33.51 -53.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -150.58 156.35 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.676 ' CE2' HD11 ' A' ' 23' ' ' LEU . 24.0 t80 -59.75 -47.34 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -51.73 -44.82 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -48.17 -45.24 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.74 -60.79 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.676 HD11 ' CE2' ' A' ' 19' ' ' PHE . 40.1 mt -46.44 -52.75 12.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -39.16 -43.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -84.97 139.23 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.96 -59.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.17 -53.15 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.86 80.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 45' ' ' ILE . 50.9 tp -52.64 -47.13 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -49.06 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.3 -41.94 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 42.4 t80 -56.49 -46.18 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.6 m -53.59 -50.21 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.4 t80 -40.43 -39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 32' ' ' PHE . 42.6 mt -73.74 -43.32 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -49.51 -41.79 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -63.46 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -94.06 13.26 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 52.33 36.97 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -114.13 -10.01 12.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 pp20? -43.19 -42.64 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' HG12 ' A' ' 83' ' ' VAL . 9.0 pm0 -36.72 -26.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m-20 -68.13 -59.66 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 29' ' ' LEU . 10.3 tp -61.1 -32.75 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -53.76 -43.43 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' HG21 ' A' ' 112' ' ' VAL . 37.6 t80 -73.66 -44.04 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -50.71 -48.78 58.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.77 -49.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.72 -42.57 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.98 -55.92 19.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -51.34 -46.86 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.96 -33.87 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 105' ' ' PHE . 43.2 t80 -59.53 -36.22 75.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.08 -41.81 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.9 t -52.63 149.77 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -117.53 -37.28 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.57 30.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.85 10.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 3.8 tp60 -42.1 -70.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 6.1 mm-40 -46.31 -62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLN . 66.2 mt -37.1 -39.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 54.7 m-70 -72.08 -51.68 20.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.37 -63.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.535 ' HE2' ' NE2' ' A' ' 62' ' ' GLN . 18.8 mttm -43.83 -54.08 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -46.88 -50.29 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -56.89 -49.78 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -65.12 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CD2' ' A' ' 74' ' ' PHE . 25.3 mt -53.3 -39.54 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -57.72 -65.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 70.0 mt-10 -67.51 -1.26 4.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 69.9 tttt -95.02 -63.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' HG23 ' A' ' 70' ' ' ILE . 5.7 m-85 -103.96 -62.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.578 ' HA ' HD12 ' A' ' 85' ' ' LEU . 33.1 mm -31.99 -70.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.502 HE21 ' N ' ' A' ' 79' ' ' ALA . 6.2 pt20 -57.15 164.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -97.93 -32.49 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.57 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.11 156.1 35.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.78 -35.8 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -101.49 18.0 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -51.92 127.06 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.579 HG12 ' HG2' ' A' ' 43' ' ' GLU . 31.8 m -109.26 172.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -72.19 109.09 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' ILE . 52.2 mt -134.47 143.51 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.11 155.39 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.27 -55.9 28.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -50.75 -63.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -41.85 -44.99 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -65.25 -48.45 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.84 -60.07 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -42.18 -47.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.69 -45.38 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.1 m -51.39 -40.91 60.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -87.3 -34.32 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -89.75 17.96 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.464 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.5 tp -73.87 -5.28 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.692 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.0 t -106.2 -20.33 13.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.84 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.8 tt0 -118.04 27.06 0.12 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.84 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 104' ' ' SER . 19.2 p -104.58 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -102.07 17.95 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 101' ' ' THR . 3.6 t -68.71 -48.81 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 43.1 m-85 -79.97 15.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.22 -53.54 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.26 -53.73 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.58 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.83 -46.21 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 t -57.01 -40.36 76.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.53 -57.07 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 47' ' ' PHE . 85.4 t -60.95 -50.61 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.2 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' VAL . 7.7 t80 -37.79 -53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -66.98 -48.39 68.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 112' ' ' VAL . 10.0 mt -40.52 -40.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -73.16 -67.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 117' ' ' GLU . 6.3 tm-20 -39.15 -35.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -41.05 -71.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 123' ' ' ARG . 4.5 m-20 -118.02 -37.98 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 m -46.53 -56.53 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 63.2 t80 -60.12 -59.36 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.7 p -43.63 -47.29 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.39 -51.28 53.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 59.5 t80 -48.59 -39.95 25.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 18.9 mt -56.94 -28.33 62.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -116.15 14.51 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 129' ' ' ILE . 97.6 p -84.15 116.84 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.6 m-20 -33.29 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' SER . 87.4 mt -58.61 -57.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 t80 -55.82 -46.86 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 128' ' ' ASP . 5.5 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.568 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.808 0.337 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 p -42.85 -38.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -73.74 -49.19 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 48.9 m0 -42.87 -46.01 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.26 -35.51 20.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -40.88 -58.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.28 165.33 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 23' ' ' LEU . 30.9 t80 -60.33 -43.06 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' LYS . 2.1 t70 -51.68 -64.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -34.01 -56.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 tp -48.08 -54.98 11.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 19' ' ' PHE . 55.4 mt -56.47 -50.08 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -39.96 -41.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.99 141.84 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.34 -55.4 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -48.65 -48.27 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.56 97.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 tp -66.04 -51.01 62.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -54.37 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.86 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 46.2 t80 -55.91 -53.08 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 m -48.97 -44.27 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 34' ' ' ARG . 31.1 mtt-85 -52.76 -47.39 67.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -51.43 -44.79 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 15.3 mt -68.82 -42.69 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -42.98 -47.59 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -56.62 -32.83 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' LEU . 61.7 mm-40 -101.54 13.53 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 52.14 33.36 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.1 t -116.13 12.57 15.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -58.31 -36.22 73.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.53 -31.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' HG11 ' A' ' 112' ' ' VAL . 5.9 m-20 -54.94 -41.29 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -85.92 -25.66 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.22 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 39.2 t80 -76.33 -45.25 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 52.5 t90 -51.15 -44.47 61.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.1 mt -65.17 -44.4 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -49.42 -43.27 44.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.1 m -56.61 -56.55 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 59.9 mm-40 -47.44 -53.54 13.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 17.1 t0 -69.96 -26.61 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.4 t80 -65.7 -49.3 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 9.2 ptpt -60.73 -43.28 98.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 26.7 mtmt -39.02 -31.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.4 t -52.88 140.65 23.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -103.15 -38.59 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.75 164.31 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.2 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.697 HE22 HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -37.34 -66.17 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -45.83 -52.83 10.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.0 mt -47.88 -49.44 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.697 HD21 HE22 ' A' ' 61' ' ' GLN . 25.0 mt -51.4 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -55.77 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.42 -47.2 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -67.48 -54.45 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -57.74 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.524 HG23 ' CD1' ' A' ' 74' ' ' PHE . 61.0 mt -59.32 -37.38 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 10.4 t80 -53.21 -69.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 39.5 mt-10 -64.94 -1.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.797 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 9.4 tttp -92.14 -50.16 5.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 11.7 m-85 -118.0 -48.23 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 31.0 mm -49.07 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.546 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 5.6 pt20 -55.51 147.72 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 79' ' ' ALA . 8.7 m -76.35 -32.46 58.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.48 17.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.797 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -97.82 146.27 31.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -107.45 17.92 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -51.53 113.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' A' ' 85' ' ' LEU . 17.8 m -94.52 176.3 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 83' ' ' VAL . 63.0 mt -126.19 143.65 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.58 145.61 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -50.89 -52.07 45.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 88' ' ' HIS . 2.7 t60 -51.87 -55.69 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.5 m -51.57 -42.7 62.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -65.05 -49.45 70.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.62 -58.39 8.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 83.8 t -44.49 -48.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.45 -39.66 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -53.4 -43.99 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -85.24 -31.78 22.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -92.35 17.8 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -75.36 -10.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.701 HG23 ' HG2' ' A' ' 99' ' ' GLN . 10.1 t -106.52 -18.76 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.8 mm100 -118.18 26.7 0.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.0 Cg_endo -69.85 125.55 12.23 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.609 2.206 . . . . 0.0 112.348 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.491 ' N ' ' HB3' ' A' ' 104' ' ' SER . 22.8 p -93.37 179.15 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 63' ' ' ILE . 42.6 mt -56.81 -19.52 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 103' ' ' HIS . 5.0 p80 -114.39 18.0 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 101' ' ' THR . 87.4 p -55.77 -33.56 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.84 17.8 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -62.12 -40.04 94.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.46 -53.65 7.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.3 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -54.97 -44.67 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -49.48 -51.85 33.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -48.28 -59.23 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.709 HG12 ' CE ' ' A' ' 116' ' ' MET . 54.5 t -60.71 -59.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.452 ' CE2' ' OE1' ' A' ' 117' ' ' GLU . 73.4 t80 -40.12 -52.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -66.64 -55.69 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.28 -49.56 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.709 ' CE ' HG12 ' A' ' 112' ' ' VAL . 50.1 mtm -74.62 -57.97 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 22.6 tt0 -43.85 -26.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -69.9 -69.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 120' ' ' SER . 21.3 m-20 -98.03 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 119' ' ' ASP . 64.7 m -32.3 -59.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.535 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 12.4 t80 -51.36 -64.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.5 p -51.89 -64.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -44.17 -53.63 6.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 27.0 t80 -39.94 -59.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.83 -36.15 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.88 -28.24 58.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' PHE . 33.4 p -62.2 127.99 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.737 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -45.8 -37.66 6.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.9 mt -45.61 -50.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -68.52 -51.53 42.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.0 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.19 -35.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.83 -44.22 20.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.497 ' CH2' ' HA2' ' A' ' 28' ' ' GLY . 41.6 m0 -45.41 -32.3 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.83 15.58 6.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.37 -53.06 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.6 p -158.41 154.28 26.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -56.8 -42.57 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -59.65 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -40.19 -43.7 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.1 tp -61.03 -47.78 84.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.2 mt -67.4 -34.27 76.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -64.75 -41.69 95.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -89.44 115.08 26.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -41.6 -65.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -41.66 -46.85 3.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.74 -43.42 99.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.99 -47.61 73.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.19 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -42.53 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.7 t80 -55.35 -54.39 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.401 ' HA ' HD12 ' A' ' 36' ' ' LEU . 88.5 m -48.58 -50.2 33.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -42.45 -62.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.522 ' HB2' HD12 ' A' ' 129' ' ' ILE . 19.6 t80 -45.33 -37.3 4.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD11 ' CE2' ' A' ' 32' ' ' PHE . 24.8 mt -75.76 -40.92 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.95 -42.67 63.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 p -61.96 -37.58 85.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.597 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 63.6 mm-40 -92.7 13.76 19.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.41 31.96 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -107.86 -11.5 15.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.4 pp20? -41.2 -44.2 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.6 pt-20 -33.52 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLU . 77.8 m-20 -60.9 -58.24 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 42' ' ' GLU . 10.7 tp -62.42 -29.15 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.89 -46.07 82.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 64.8 t80 -66.53 -37.51 85.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.447 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 23.3 t90 -59.48 -38.18 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.46 -48.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.4 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.1 m -55.49 -54.36 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 30.2 mm-40 -47.53 -55.93 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.49 -38.35 90.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 55' ' ' LYS . 1.4 t80 -58.4 -57.05 14.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 54' ' ' PHE . 16.4 ptpt -61.83 -33.62 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -65.48 -17.19 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -55.32 167.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -132.09 116.96 17.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.33 164.96 24.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.1 Cg_endo -69.82 -51.02 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.505 ' OE1' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -37.1 -65.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' HG3' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp60 -49.46 -56.7 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.533 HG12 HD23 ' A' ' 102' ' ' LEU . 34.8 mt -47.91 -47.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -63.71 -57.14 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.505 HD22 ' OE1' ' A' ' 61' ' ' GLN . 11.2 mp -55.65 -56.56 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.407 ' HE2' ' HG3' ' A' ' 62' ' ' GLN . 6.9 mmtm -52.2 -49.52 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.55 -53.71 42.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -56.16 -57.1 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.2 mt -50.7 -45.07 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.95 -62.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -63.85 -4.69 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 22.1 tttt -89.13 -69.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -98.5 -62.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.542 HD13 ' CD1' ' A' ' 85' ' ' LEU . 49.9 mm -33.67 -67.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.2 pt20 -52.0 138.26 25.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.17 160.03 25.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 63.76 32.06 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.992 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -106.52 172.88 3.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.992 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.78 -31.77 19.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.6 mmtp -118.05 17.89 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' A' ' 79' ' ' ALA . 2.7 pp20? -52.07 132.13 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' HG ' ' A' ' 85' ' ' LEU . 34.7 m -119.8 173.25 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.596 ' O ' HD11 ' A' ' 115' ' ' LEU . 29.3 m-20 -83.03 103.01 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 83' ' ' VAL . 89.0 mt -123.1 165.71 16.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.4 156.73 24.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -59.25 -59.28 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.75 -65.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -48.24 -52.3 21.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -52.0 -45.91 64.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -66.28 -59.2 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -40.79 -43.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.74 -46.04 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -51.48 -41.43 60.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -88.9 -32.01 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -91.27 18.02 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.49 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -76.45 -8.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.196 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 7.5 t -105.02 -21.87 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 pt20 -117.96 27.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.76 141.48 45.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.532 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 42.5 p -113.52 178.85 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.533 HD23 HG12 ' A' ' 63' ' ' ILE . 90.7 mt -57.04 -19.56 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 19.8 p80 -108.94 18.01 21.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -57.59 -54.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -79.43 14.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.1 -54.09 50.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.53 -54.36 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.7 -55.71 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -44.7 -53.09 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -49.4 -45.69 46.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.31 -61.08 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG12 ' SD ' ' A' ' 116' ' ' MET . 48.7 t -54.8 -53.99 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.8 t80 -34.66 -43.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' LEU . 21.9 mt-30 -72.98 -49.54 28.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 84' ' ' ASN . 35.0 mt -35.02 -44.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.667 ' SD ' HG12 ' A' ' 112' ' ' VAL . 3.5 mpp? -75.4 -68.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -41.0 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 116' ' ' MET . 61.1 mm-40 -58.55 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.03 -37.58 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 75.5 m -48.88 -54.16 16.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.641 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 32.6 t80 -56.01 -62.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.6 p -49.93 -37.79 33.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -70.61 -42.67 70.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.68 -34.82 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 80.6 mt -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -97.34 17.82 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.7 p -87.62 145.76 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -49.45 -54.09 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 35' ' ' PHE . 77.2 mt -43.57 -58.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 2.4 t80 -59.54 -48.55 81.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.816 0.341 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.89 -30.87 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -82.26 -42.74 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 22' ' ' LEU . 43.5 m0 -42.49 -42.6 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.57 -37.71 61.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.9 mm-40 -34.51 -59.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.2 m -151.54 152.58 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.96 -46.75 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -55.1 -49.43 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 6.7 mtpt -42.44 -44.85 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 15' ' ' TRP . 5.9 tp -60.57 -59.81 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 38.7 mt -43.81 -51.65 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.977 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.8 t -37.33 -40.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -90.9 128.92 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -55.5 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.39 -51.63 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -57.99 -51.14 60.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.74 -45.31 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.08 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.53 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 36' ' ' LEU . 59.3 t80 -43.03 -46.0 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 33.4 m -58.69 -45.29 89.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -52.29 -59.77 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -47.16 -40.07 15.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.2 mt -70.67 -43.6 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -44.67 -49.96 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.1 p -54.28 -38.13 65.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.6 11.0 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 52.49 36.1 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -117.49 -0.95 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -45.24 -41.56 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -41.76 -33.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' O ' HG11 ' A' ' 112' ' ' VAL . 56.6 m-20 -53.06 -42.97 66.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.2 tp -85.06 -26.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.74 -38.26 66.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 48.4 t80 -74.82 -45.47 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -48.22 -51.73 24.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.4 mt -59.23 -50.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.09 40.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 47' ' ' PHE . 54.5 m -48.39 -42.44 31.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.05 -57.08 9.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 66' ' ' LYS . 44.8 t0 -55.63 -33.39 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.639 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.0 t80 -58.87 -37.61 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LYS . 35.7 mtmt -65.15 -43.88 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 30.1 mtpt -34.57 -36.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 58.1 p -52.44 148.1 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 5.5 ptmm? -117.98 -36.67 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -97.0 167.45 24.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -37.57 9.1 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.86 ' O ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -43.19 -63.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.3 tp60 -55.17 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.639 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 55.3 mt -34.55 -67.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 98' ' ' THR . 4.1 m-70 -42.08 -46.63 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 61' ' ' GLN . 11.1 mp -67.98 -65.1 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 46.9 mttt -40.98 -42.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -51.87 60.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -60.4 -52.4 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.65 -57.17 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.94 -28.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 75' ' ' ILE . 16.9 t80 -65.93 -68.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 30.7 mt-10 -61.36 -3.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 20.4 tttp -93.83 -51.84 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 46.4 m-85 -115.48 -52.53 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 71' ' ' TYR . 27.9 mm -42.77 -69.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 7.4 pt20 -56.09 157.8 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -90.53 -25.64 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 12.1 t0 -78.44 17.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -98.81 153.24 37.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.0 24.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -110.18 17.9 20.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.87 125.83 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.82 178.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -89.37 102.47 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.62 ' CD1' HD13 ' A' ' 75' ' ' ILE . 17.4 mt -109.94 143.15 40.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -51.98 144.77 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -49.66 -57.22 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.413 ' CD2' HG21 ' A' ' 92' ' ' VAL . 41.1 t60 -57.16 -64.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.9 m -42.63 -54.22 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' ILE . 20.6 tttt -50.03 -45.41 52.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.6 tp10 -69.64 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' GLU . 95.5 t -35.66 -47.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ILE . 94.2 mt -61.64 -47.72 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -50.1 -43.45 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -82.12 -31.9 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m -96.16 17.75 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' ILE . 11.0 tp -73.58 -6.03 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.699 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -107.18 -19.33 13.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.834 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 1.8 tp60 -118.05 26.83 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.834 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.5 Cg_endo -69.73 126.5 13.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.2 p -102.35 177.59 4.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.4 -16.24 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -113.66 17.91 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -49.49 66.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -78.18 9.55 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.85 -41.96 96.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.66 -54.43 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.37 -50.95 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -46.71 -43.29 17.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.3 t -58.24 -47.56 83.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 111' ' ' ARG . 7.6 tpt85 -50.21 -59.56 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 47' ' ' PHE . 94.9 t -56.27 -51.01 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -45.73 -53.0 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.46 -40.77 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD23 ' OE1' ' A' ' 118' ' ' GLN . 6.9 mt -60.97 -24.48 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 120' ' ' SER . 72.1 mtm -95.2 -14.83 23.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tm-20 -94.04 -16.91 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.602 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -74.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.96 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.02 -37.64 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 116' ' ' MET . 58.3 m -48.17 -35.83 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -74.49 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.7 p -51.11 -39.86 57.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -73.55 -41.61 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 130' ' ' TYR . 10.2 t80 -49.47 -43.02 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 130' ' ' TYR . 6.6 mt -65.42 -36.25 83.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -74.43 -29.9 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.2 p -58.83 131.87 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -42.19 -39.42 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.2 mt -44.88 -55.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CE2' HD23 ' A' ' 125' ' ' LEU . 10.2 t80 -67.73 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.815 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 14' ' ' LYS . 7.2 p -60.27 -41.86 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 13' ' ' VAL . 28.3 mttm -74.25 -37.91 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.415 ' CZ3' ' HA2' ' A' ' 28' ' ' GLY . 45.0 m0 -41.39 -48.89 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -59.17 -33.34 74.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.2 mm-40 -35.65 -58.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -150.94 161.55 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.5 t80 -60.57 -43.03 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.43 -44.16 84.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.41 -49.23 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.16 -52.24 59.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 39.3 mt -59.97 -47.99 83.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 5.7 p -37.72 -40.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -86.16 149.08 25.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -73.49 -60.32 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -49.34 -55.61 12.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.77 -41.17 43.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.553 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.666 HD21 HG12 ' A' ' 49' ' ' ILE . 56.8 tp -63.4 -53.46 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -51.39 -62.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.82 -47.0 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 36' ' ' LEU . 57.7 t80 -51.77 -46.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.44 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.1 m -52.8 -56.41 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -38.44 -51.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -47.26 -51.63 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.0 mt -67.35 -43.09 82.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 33' ' ' THR . 18.9 mtpt -44.41 -51.04 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -54.13 -38.64 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.38 12.78 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 52.81 34.86 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -117.38 14.31 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.7 pm0 -63.88 -38.46 91.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.41 -37.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.542 ' O ' HG11 ' A' ' 112' ' ' VAL . 2.1 m-20 -57.08 -58.34 8.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.3 tp -67.74 -37.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -46.42 -41.34 13.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 73.8 t80 -68.3 -38.73 81.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 48' ' ' TRP . 13.8 t90 -58.04 -39.32 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.666 HG12 HD21 ' A' ' 29' ' ' LEU . 30.4 mt -77.4 -37.5 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 -27.31 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.8 m -78.59 -67.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 1.8 pp20? -42.36 -33.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -82.23 -40.86 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -52.36 -42.35 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' O ' HD22 ' A' ' 102' ' ' LEU . 39.9 mtmt -56.41 -46.28 80.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.7 mtpp -37.83 -32.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' LYS . 36.7 m -53.41 133.41 40.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -97.66 -56.66 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.38 164.61 54.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.533 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' OE1' HD13 ' A' ' 65' ' ' LEU . 1.1 tm0? -38.22 -68.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.08 -48.47 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 54' ' ' PHE . 68.6 mt -58.45 -49.92 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -55.06 -52.19 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.2 mp -62.24 -62.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -47.16 -52.04 16.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.65 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -55.5 -55.19 34.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.78 -43.83 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HD1' HG21 ' A' ' 75' ' ' ILE . 2.4 t80 -57.38 -61.19 2.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 29.6 mt-10 -62.74 -5.64 2.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 10.9 tttt -87.32 -69.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.09 -62.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' PHE . 44.1 mm -33.51 -69.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.603 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.4 pt20 -52.39 136.08 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.4 m -75.1 174.2 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.707 ' H ' HG22 ' A' ' 77' ' ' THR . 2.6 t70 48.28 31.99 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.9 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.43 170.36 6.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.9 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.67 -30.6 22.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 36.3 mmtt -117.98 17.86 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 2.8 pp20? -52.44 122.08 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -110.31 177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -86.97 112.88 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.8 mt -129.03 166.98 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -78.94 147.78 32.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.2 t80 -51.09 -62.0 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.65 ' O ' HG13 ' A' ' 92' ' ' VAL . 6.4 t-160 -44.74 -69.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 92' ' ' VAL . 43.1 m -45.55 -59.94 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 12.9 tttt -46.19 -20.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -97.41 -43.91 7.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 88' ' ' HIS . 1.5 m -55.45 -45.95 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 92' ' ' VAL . 96.4 mt -64.43 -46.26 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.8 m -49.97 -40.01 42.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -85.28 -35.16 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.8 t -87.74 17.99 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -71.9 -9.09 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.664 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -105.12 -21.82 13.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.4 pt20 -118.12 29.52 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.71 127.31 14.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 p -106.67 178.25 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 55' ' ' LYS . 87.2 mt -56.21 -24.12 39.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -102.12 17.85 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.1 t -68.34 -56.71 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -79.27 13.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.8 -47.15 79.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.45 -55.57 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.56 -47.96 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -47.46 -45.0 25.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.9 t -61.04 -49.88 75.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -40.45 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 44' ' ' ASN . 92.5 t -56.99 -58.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 65.1 t80 -37.49 -43.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -72.47 -56.52 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.56 -40.34 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLN . 63.3 mtm -74.1 -66.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.8 tm-20 -37.0 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' MET . 72.5 mt-30 -49.03 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -117.92 -35.73 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.9 m -50.53 -52.0 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 18.6 t80 -60.54 -68.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.1 p -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -65.6 -51.16 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 47.1 t80 -49.51 -36.86 24.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 79.8 mt -61.75 -30.15 70.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -101.01 16.55 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -95.32 144.32 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.84 -45.81 93.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -46.88 -42.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.474 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 2.4 t80 -68.17 -58.66 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.49 -31.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -80.72 -48.09 13.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 47.4 m0 -42.06 -46.32 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.21 -37.16 7.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.1 mt-10 -37.39 -58.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -158.89 156.65 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 23' ' ' LEU . 22.7 t80 -52.07 -47.69 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 38.7 t0 -44.08 -66.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -34.22 -55.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 32' ' ' PHE . 14.5 tp -48.13 -55.41 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 19' ' ' PHE . 35.5 mt -60.13 -45.11 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 t -46.26 -43.06 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -81.51 155.51 25.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -76.43 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.35 -58.09 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.35 -38.87 9.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.6 -54.6 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -50.59 -48.11 57.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.89 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' HB2' HD21 ' A' ' 22' ' ' LEU . 28.9 t80 -57.87 -55.87 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.9 m -48.73 -44.73 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.08 -61.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 129' ' ' ILE . 28.8 t80 -39.86 -44.88 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' ' C ' ' A' ' 41' ' ' SER . 51.5 mt -69.18 -48.89 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -42.09 -46.81 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -59.65 -39.35 84.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -93.06 14.37 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 52.05 33.28 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.7 m -114.92 15.18 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.535 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.6 pm0 -59.22 -42.55 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 7.0 pt-20 -37.76 -39.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.6 -54.47 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.1 tp -75.45 -34.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 23.2 mt-10 -46.69 -45.18 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 62.8 t80 -64.69 -42.76 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.492 ' CE2' HD13 ' A' ' 23' ' ' LEU . 31.2 t90 -51.26 -47.21 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.39 -35.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.05 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.562 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 86.3 m -71.7 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.4 -33.67 4.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -79.64 -40.1 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.8 t80 -52.15 -39.12 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' LYS . 36.2 mtmt -59.95 -47.21 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' LYS . 45.5 mttm -33.68 -42.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -52.32 147.49 7.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -118.03 -35.8 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.49 165.97 47.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -42.82 3.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -47.28 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -39.14 -52.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.701 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 54.3 mt -53.24 -49.43 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.15 -61.09 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 mp -49.25 -50.74 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -64.16 -43.4 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.89 64.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -63.59 -49.24 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.32 -62.17 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -51.63 -36.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 75' ' ' ILE . 15.5 t80 -55.82 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 41.8 mt-10 -63.46 -0.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 34.9 tttt -90.26 -58.51 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 4.8 m-85 -118.05 -47.33 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.591 HG21 ' CD2' ' A' ' 71' ' ' TYR . 25.8 mm -40.46 -69.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.593 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 10.8 pt20 -57.39 173.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.5 m -101.85 -38.61 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.449 ' C ' HE21 ' A' ' 76' ' ' GLN . 31.2 t0 -70.48 17.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -95.97 154.55 38.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.42 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.612 2.208 . . . . 0.0 112.385 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 8.7 mmtp -110.92 17.95 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.88 127.05 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.402 HG23 ' HG ' ' A' ' 85' ' ' LEU . 23.1 m -111.08 175.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -79.87 102.22 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HG ' HG23 ' A' ' 83' ' ' VAL . 17.8 mt -122.77 139.12 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.01 145.37 50.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -50.45 -63.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.1 t60 -41.8 -56.51 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.0 m -50.36 -46.43 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -64.02 -56.67 13.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.8 -46.89 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 88' ' ' HIS . 89.6 t -55.73 -45.34 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ILE . 97.3 mt -68.35 -41.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -54.66 -43.83 72.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -85.4 -25.13 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.7 t -100.46 17.33 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.474 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -75.81 -10.39 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.616 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 23.1 p -102.4 -21.98 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.773 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.1 pt20 -118.02 32.62 0.18 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.2 Cg_endo -69.72 148.41 65.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.9 p -132.02 177.41 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.13 -27.04 66.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.13 17.73 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.9 t -95.2 -68.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.4 m-85 -44.56 -37.68 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' PHE . 2.3 m-20 -35.91 -41.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.34 -60.38 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.09 56.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -45.56 -48.59 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.6 t -50.44 -40.43 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -57.62 -59.85 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 47' ' ' PHE . 60.9 t -59.18 -48.54 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.456 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 23.3 t80 -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' LEU . 37.6 mm-40 -71.67 -56.9 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 114' ' ' GLN . 7.5 mt -33.84 -44.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 112' ' ' VAL . 36.7 mtm -78.35 -56.95 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 42.6 tt0 -45.11 -20.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.7 mm100 -76.98 -69.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' SER . 86.5 m-20 -98.02 -64.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' ASP . 58.8 m -32.02 -51.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 29.3 t80 -62.0 -68.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -66.9 -35.83 80.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 130' ' ' TYR . 32.6 t80 -60.15 -38.03 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.35 -40.76 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -78.9 -17.43 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 p -67.24 137.3 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 131' ' ' LEU . 1.4 t70 -51.29 -48.14 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 35' ' ' PHE . 85.9 mt -38.39 -47.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CD1' ' CE2' ' A' ' 124' ' ' PHE . 55.2 t80 -75.74 -55.3 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 128' ' ' ASP . 38.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.08 -33.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -80.1 -39.83 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.532 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 29.5 m0 -38.24 -54.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -40.24 -40.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' GLY . 24.0 mt-10 -34.46 -56.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -153.39 162.97 40.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.4 t80 -62.21 -39.58 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -55.21 -49.77 71.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -46.34 -49.92 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 32' ' ' PHE . 20.1 tp -54.46 -61.32 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 ' CE2' ' A' ' 19' ' ' PHE . 34.2 mt -51.18 -51.23 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.0 t -34.3 -44.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -89.1 146.76 24.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -63.88 -62.17 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -43.85 -59.76 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.8 -42.95 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 23' ' ' LEU . 58.3 tp -69.33 -43.68 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.316 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.56 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.61 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HD11 ' A' ' 36' ' ' LEU . 46.8 t80 -55.37 -60.51 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 45' ' ' ILE . 54.2 m -39.48 -46.94 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -53.02 -50.46 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 129' ' ' ILE . 35.2 t80 -48.19 -40.98 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 32' ' ' PHE . 40.6 mt -71.0 -56.08 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' A' ' 42' ' ' GLU . 45.0 mttt -38.34 -48.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -56.28 -39.27 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 72.4 mm-40 -93.52 14.2 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 54.03 32.08 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 m -118.03 17.84 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.7 pt-20 -70.52 -35.26 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 1.8 pm0 -40.95 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HG11 ' A' ' 112' ' ' VAL . 94.5 m-20 -68.79 -57.19 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.431 HG21 HG23 ' A' ' 33' ' ' THR . 10.4 tp -70.43 -31.57 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.81 -42.66 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HD2' HG21 ' A' ' 112' ' ' VAL . 60.9 t80 -75.54 -41.12 55.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.52 -41.93 66.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' CYS . 64.1 mt -65.45 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.12 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' ILE . 90.4 m -72.09 -68.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' C ' ' OE1' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -44.65 -30.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 10.6 t70 -91.31 -25.49 19.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' O ' HD22 ' A' ' 102' ' ' LEU . 5.0 ptpp? -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 mtpt -34.96 -36.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 11.9 t -51.94 149.42 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -111.71 -34.78 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.86 169.23 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -42.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.587 2.192 . . . . 0.0 112.367 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.641 ' OE1' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -41.1 -68.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.9 tp-100 -49.21 -51.55 32.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.49 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.3 mt -49.4 -42.55 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.04 -50.29 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD21 ' OE1' ' A' ' 61' ' ' GLN . 12.7 mt -56.58 -62.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 60.6 mttt -49.2 -43.74 42.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.7 -53.38 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -64.2 -50.65 67.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 -58.96 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.0 mt -59.31 -39.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 5.4 t80 -51.64 -69.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 27.3 mt-10 -62.3 -0.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.928 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 24.3 tttt -89.66 -57.84 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.8 m-85 -118.02 -39.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 45.9 mm -54.18 -69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 6.0 pt20 -51.91 148.13 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HG3' ' A' ' 82' ' ' GLU . 22.7 m -73.77 -37.27 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 25.1 t70 -74.59 17.93 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -88.52 142.8 31.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.262 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -108.55 17.93 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 1.6 tm-20 -47.16 118.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG23 ' HG ' ' A' ' 85' ' ' LEU . 32.7 m -100.33 176.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -76.99 101.98 6.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 83' ' ' VAL . 78.1 mt -130.93 143.13 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.92 149.01 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -44.68 -59.28 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -40.22 -59.92 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.1 m -48.73 -51.36 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.83 -34.09 75.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' THR . 1.8 tp10 -74.46 -68.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -34.48 -47.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 84.3 mt -63.11 -43.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' GLU . 99.6 m -51.07 -43.81 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -87.05 -28.3 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -94.77 17.46 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.465 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -79.78 -12.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.69 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -106.17 -22.2 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.837 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.4 pt20 -118.03 26.82 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.709 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.837 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.4 Cg_endo -69.74 136.95 34.35 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.619 ' HG1' ' CE1' ' A' ' 103' ' ' HIS . 60.9 p -107.68 179.29 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' LYS . 33.5 mt -57.22 -18.78 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.619 ' CE1' ' HG1' ' A' ' 101' ' ' THR . 6.3 p80 -111.5 17.76 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -61.5 -54.43 43.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -79.12 10.74 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.66 -46.11 91.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -59.31 3.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.62 12.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -52.94 -43.16 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.4 t -60.18 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -50.9 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.617 HG11 ' O ' ' A' ' 44' ' ' ASN . 90.0 t -71.68 -40.6 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -46.26 -49.82 16.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -70.37 -38.52 74.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.554 HD23 ' OE1' ' A' ' 118' ' ' GLN . 7.8 mt -58.12 -25.56 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.423 ' CE ' HD12 ' A' ' 45' ' ' ILE . 63.7 mtm -96.28 -17.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -93.36 -7.23 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.554 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -69.46 -71.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.01 -37.92 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.7 m -48.27 -44.74 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.14 -52.66 38.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.0 p -54.61 -38.68 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -72.84 -43.79 62.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 38.4 t80 -53.33 -39.0 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.4 -33.89 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -101.02 16.48 25.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 p -89.98 162.44 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -78.99 -37.88 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 35' ' ' PHE . 84.3 mt -56.17 -38.8 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -73.86 -47.28 39.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.563 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -41.89 -38.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -75.0 -45.48 41.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.3 m0 -41.08 -47.85 3.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -49.07 -37.54 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' GLY . 38.8 mt-10 -34.97 -47.11 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -157.54 156.59 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.9 t80 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.8 -44.34 90.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -47.87 -44.1 29.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 32' ' ' PHE . 7.3 tp -62.27 -61.51 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 48' ' ' TRP . 41.3 mt -39.26 -47.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -49.32 -42.42 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' HZ2' ' A' ' 15' ' ' TRP . 30.8 t-80 -77.37 135.3 38.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -65.08 -62.29 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.21 -45.18 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -48.32 79.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.551 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.02 -58.57 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.28 -56.15 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.07 -41.08 59.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 74.8 t80 -63.13 -48.96 76.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m -54.1 -44.64 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 34' ' ' ARG . 29.8 mtt85 -51.83 -54.28 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.4 -41.91 14.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 32' ' ' PHE . 27.6 mt -71.86 -43.17 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.85 -46.75 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -57.2 -40.3 77.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -91.81 13.52 18.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 52.05 33.94 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -116.78 16.91 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.8 pp20? -62.45 -40.48 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG3' HG12 ' A' ' 83' ' ' VAL . 16.0 pt-20 -41.18 -36.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -53.64 -54.68 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.1 tp -72.6 -33.99 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.98 -46.19 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.687 ' CD2' HG21 ' A' ' 112' ' ' VAL . 38.1 t80 -63.86 -49.48 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CE2' HD13 ' A' ' 23' ' ' LEU . 42.9 t90 -42.2 -49.07 4.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.25 -42.39 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.38 -28.09 51.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.584 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 50.6 m -75.35 -68.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -43.63 -31.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.97 -34.91 20.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 1.9 t80 -58.02 -39.25 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.83 -45.43 86.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -40.77 -34.51 0.39 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.7 m -53.95 166.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 54.7 pttt -143.28 124.89 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 63' ' ' ILE . . . 103.93 162.85 24.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -69.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -49.36 -58.57 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 59' ' ' GLY . 33.7 mt -45.18 -49.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -56.76 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -49.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -49.58 -46.25 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.83 -54.83 20.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.65 -54.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.87 -66.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 74' ' ' PHE . 94.3 mt -51.6 -41.55 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 1.1 t80 -58.11 -61.33 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 27.7 mt-10 -69.04 -0.1 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 22.5 tttt -96.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.5 m-85 -97.99 -63.45 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 35.7 mm -32.15 -73.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.574 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 5.2 pt20 -52.79 155.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -91.87 -33.12 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.406 ' C ' HE21 ' A' ' 76' ' ' GLN . 0.7 OUTLIER -71.09 17.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -102.94 157.33 33.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -37.36 9.26 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -100.83 17.82 21.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.0 124.35 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.411 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -104.47 179.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.25 108.59 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -121.74 153.15 38.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.1 t70 -61.93 143.18 56.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.91 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.468 ' NE2' HG21 ' A' ' 92' ' ' VAL . 77.9 t60 -52.48 -64.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.3 m -47.11 -41.22 16.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 16.4 tttt -63.3 -51.28 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.9 tp10 -65.16 -60.67 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG21 ' NE2' ' A' ' 88' ' ' HIS . 96.6 t -34.56 -46.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.99 -52.65 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -45.68 -44.42 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -83.48 -34.43 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -88.27 18.02 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.489 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -71.33 -10.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.667 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 t -103.61 -21.18 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.814 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.5 pt20 -118.1 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.66 132.35 23.29 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.3 p -109.39 178.85 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 63' ' ' ILE . 37.5 mt -66.19 -18.99 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -106.11 17.37 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -75.77 -55.03 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HD2' ' CE2' ' A' ' 54' ' ' PHE . 55.2 m-85 -73.79 7.11 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.48 -46.67 63.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.2 -46.73 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.13 94.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -55.54 -40.26 71.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 t -63.83 -38.41 91.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.07 -54.72 43.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 47' ' ' PHE . 95.0 t -61.01 -47.19 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -42.61 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.25 -54.21 32.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 mt -38.69 -42.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.19 -65.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -39.41 -33.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.93 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 -37.73 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.1 m -47.7 -53.23 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.797 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.518 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.6 t80 -65.91 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -41.02 -46.97 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.66 -48.87 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 41.4 t80 -49.24 -28.47 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.518 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 93.7 mt -71.65 -30.31 65.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -107.12 16.81 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' ASP . 64.1 p -90.84 121.57 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.2 m-20 -35.37 -47.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.52 -54.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 130' ' ' TYR . 5.8 t80 -54.64 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.849 0.357 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p -45.68 -36.28 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' TRP . 40.2 mttm -77.1 -49.22 15.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.0 m0 -36.76 -52.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.92 -41.54 6.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLY . 28.2 mt-10 -32.15 -59.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.1 p -151.31 156.68 41.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 23' ' ' LEU . 26.9 t80 -56.74 -39.47 74.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -54.28 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -39.54 -53.49 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -48.58 -50.16 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 19' ' ' PHE . 30.7 mt -61.9 -49.84 74.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -40.28 -43.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -77.35 140.55 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -64.88 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.32 -51.45 34.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.64 -55.56 22.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.454 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 45' ' ' ILE . 45.6 tp -53.57 -53.29 53.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.767 0.317 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -48.07 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.98 35.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 40.9 t80 -55.0 -45.8 75.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -55.66 -50.91 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 34' ' ' ARG . 10.3 mtp180 -43.83 -51.65 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 10.5 t80 -50.05 -41.95 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 34.8 mt -74.53 -43.94 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -46.1 -41.83 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -68.3 -36.29 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -92.31 14.49 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 51.2 34.57 11.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.467 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -109.25 -13.99 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.7 pp20? -41.69 -45.89 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -33.88 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 76.3 m-20 -66.33 -56.84 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 29' ' ' LEU . 8.7 tp -62.26 -29.41 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.0 -43.49 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 24.0 t80 -70.54 -45.19 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 75.5 t90 -50.38 -46.65 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.61 -49.41 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.85 -41.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.423 ' C ' ' HE2' ' A' ' 55' ' ' LYS . 72.0 m -61.51 -59.17 5.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -42.03 -39.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.61 -37.22 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 6.6 t80 -58.13 -44.14 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -67.18 -40.87 86.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -43.9 -30.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.02 151.93 3.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -117.87 -37.3 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.45 163.37 38.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.67 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 4.1 mm-40 -41.02 -70.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.52 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -34.52 -45.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 67.9 mt -62.32 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.0 m-70 -68.62 -41.13 79.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.81 -59.15 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.6 mtmp? -51.3 -48.09 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.89 -53.6 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -58.73 -47.52 84.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -59.97 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.28 -36.62 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.917 ' CE2' HG21 ' A' ' 75' ' ' ILE . 7.7 t80 -57.36 -65.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 21.9 mt-10 -62.69 -0.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.908 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 19.7 tttp -92.77 -54.43 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.5 m-85 -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.917 HG21 ' CE2' ' A' ' 71' ' ' TYR . 45.3 mm -54.79 -69.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.732 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.07 145.2 17.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 23.8 m -70.78 -39.09 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' HE21 ' A' ' 76' ' ' GLN . 32.9 t70 -71.27 18.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.908 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -92.95 143.1 26.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -25.3 28.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.269 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -108.07 17.96 21.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 0.4 OUTLIER -49.55 110.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 27.7 m -94.74 176.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -84.42 108.95 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -124.93 144.69 50.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.9 p-10 -66.06 161.6 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -61.37 -54.03 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -51.34 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.1 m -46.3 -58.91 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 14.2 tttm -47.94 -43.52 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' VAL . 5.1 tp10 -67.64 -63.72 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.4 t -36.08 -44.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 108' ' ' ALA . 87.9 mt -68.75 -45.74 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -51.46 -44.73 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -85.55 -31.41 22.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 22.5 m -93.46 18.02 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.443 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -74.15 -10.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.665 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.8 t -105.98 -17.76 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 20.6 pt20 -117.98 29.39 0.13 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.8 Cg_endo -69.72 154.66 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.465 ' H ' ' CB ' ' A' ' 104' ' ' SER . 61.5 p -136.13 177.93 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.13 -24.85 67.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -104.88 17.96 23.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.465 ' CB ' ' H ' ' A' ' 101' ' ' THR . 4.6 m -85.46 -69.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.3 m-85 -43.21 -34.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' PHE . 24.1 t70 -34.96 -46.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -55.11 -42.11 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -51.23 -42.8 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 t -49.49 -49.81 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -57.27 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.496 HG21 ' CD1' ' A' ' 47' ' ' PHE . 90.4 t -58.57 -43.38 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.27 -46.53 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -72.81 -48.46 37.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.34 -40.39 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 118' ' ' GLN . 70.0 mtm -76.54 -60.7 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 tt0 -45.65 -20.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 116' ' ' MET . 7.9 mm-40 -61.77 -69.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.9 -37.87 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 71.5 m -49.88 -50.3 46.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 37.4 t80 -66.27 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -42.49 -47.74 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 mtt180 -63.45 -46.67 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 66.6 t80 -48.32 -40.8 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 74.8 mt -62.34 -35.45 79.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -97.63 14.88 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.3 p -98.2 132.32 43.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -50.03 -46.1 52.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 35' ' ' PHE . 94.8 mt -45.6 -44.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.4 t80 -69.97 -46.08 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 128' ' ' ASP . 13.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.16 -30.96 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -76.8 -39.19 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.8 m0 -39.41 -59.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.08 -35.62 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 16' ' ' GLY . 68.5 mt-10 -32.12 -59.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . 69.5 m -157.13 156.92 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 8.4 t80 -55.45 -40.05 71.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -52.63 -60.81 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 18' ' ' SER . 6.8 mptt -40.43 -53.99 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 48' ' ' TRP . 46.7 mt -58.31 -47.02 85.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 t -43.0 -44.02 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 5.0 t-80 -88.77 140.88 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 2.9 tpm_? -71.14 -57.02 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 5.6 m-20 -41.16 -58.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.8 28.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 45' ' ' ILE . 67.7 tp -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -48.96 -61.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.82 -45.5 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.02 -49.53 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 HG21 ' A' ' 45' ' ' ILE . 16.0 m -51.87 -44.22 63.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 34' ' ' ARG . 5.7 mtp85 -52.66 -48.51 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 129' ' ' ILE . 6.4 t80 -49.52 -43.63 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.13 -46.43 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.81 -47.9 8.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -95.55 12.43 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 52.22 32.03 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.32 16.7 14.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -60.6 -40.62 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -36.5 -34.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 19.7 m-20 -57.67 -49.79 75.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.805 HD11 HD11 ' A' ' 29' ' ' LEU . 8.1 tp -75.41 -30.66 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' OE2' ' A' ' 42' ' ' GLU . 5.0 mm-40 -50.79 -49.97 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 77.0 t80 -62.33 -41.78 98.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.669 ' CE2' HD13 ' A' ' 23' ' ' LEU . 19.0 t90 -56.78 -38.07 71.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.49 -55.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -47.37 -30.31 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' PHE . 36.7 m -69.32 -64.44 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -49.18 -26.16 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.26 -18.27 20.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.733 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -70.14 -48.73 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -70.12 -27.88 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 7.0 mtpm? -48.49 -29.02 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -53.67 166.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 9.1 ptpp? -117.79 -36.84 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -101.82 167.93 18.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.741 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.8 Cg_endo -69.88 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -39.24 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -44.25 -47.99 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 60' ' ' PRO . 62.6 mt -53.09 -52.91 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -53.65 -53.04 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -49.6 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -52.83 -51.06 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -48.07 -58.07 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -51.29 -58.52 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.28 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' A' ' 74' ' ' PHE . 36.9 mt -48.29 -41.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.597 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 1.8 t80 -58.01 -62.36 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.597 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 54.5 mt-10 -66.15 -3.6 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.62 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 9.7 ttpt -93.11 -65.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 1.7 m-85 -97.92 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 85' ' ' LEU . 47.1 mm -35.23 -68.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.1 pt20 -53.58 142.58 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -81.64 171.11 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 77' ' ' THR . 33.3 t70 52.35 32.1 10.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.059 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -105.04 175.96 1.94 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.695 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 1.059 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -37.3 9.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -116.29 17.99 15.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 8.8 pt-20 -52.01 130.01 28.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 81' ' ' LYS . 18.5 m -122.89 171.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -75.94 107.58 8.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 75' ' ' ILE . 26.4 mt -129.81 143.62 50.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -60.45 149.52 33.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.35 -60.93 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.2 t60 -45.07 -53.16 8.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -54.91 -45.44 74.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -62.01 -52.75 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.44 -49.87 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 88' ' ' HIS . 93.4 t -52.16 -47.47 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.57 -41.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 m -57.45 -43.78 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -86.64 -27.1 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 t -97.11 18.02 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.432 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.7 tp -73.91 -5.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.673 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 24.7 p -107.3 -20.86 13.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 77.6 mt-30 -118.01 28.37 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.76 122.43 9.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.584 2.189 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -97.67 178.52 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 55' ' ' LYS . 78.5 mt -63.75 -30.24 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -97.33 18.02 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -69.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 106' ' ' ASP . 20.2 m-85 -50.28 -34.58 23.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.2 t0 -32.45 -45.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.91 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.7 90.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -50.6 -41.03 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 5.3 t -63.2 -45.5 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 115' ' ' LEU . 89.7 t -56.32 -48.58 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -40.68 -42.52 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 110' ' ' SER . 48.9 mt-30 -73.94 -43.88 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 112' ' ' VAL . 5.5 mt -48.79 -45.05 39.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 120' ' ' SER . 57.4 mtm -73.01 -52.33 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 121' ' ' TYR . 16.2 tp10 -48.41 -17.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 116' ' ' MET . 27.7 mt-30 -63.48 -69.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.89 -38.0 3.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 116' ' ' MET . 2.0 m -49.32 -39.77 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.525 ' CD2' ' OE1' ' A' ' 117' ' ' GLU . 26.2 t80 -74.33 -65.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.9 p -44.55 -43.48 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -65.45 -48.0 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 53.0 t80 -47.65 -50.05 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.06 -24.96 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -100.88 -22.36 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 p -56.51 131.32 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -51.94 -36.64 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 35' ' ' PHE . 91.4 mt -52.27 -41.02 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -73.8 -62.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.876 0.37 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.12 -33.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.65 -43.78 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' N ' ' A' ' 28' ' ' GLY . 43.4 m0 -47.31 -41.76 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.53 -29.34 11.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -44.72 -64.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -144.37 173.0 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -74.92 -36.78 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.62 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -55.39 -42.03 73.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 32' ' ' PHE . 12.5 tp -59.92 -55.96 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 19' ' ' PHE . 36.7 mt -58.66 -53.57 56.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -39.57 -40.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -82.64 148.31 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -77.81 -59.08 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -44.75 -54.03 6.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' N ' ' CH2' ' A' ' 15' ' ' TRP . . . -58.63 -50.76 63.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 HD11 ' A' ' 45' ' ' ILE . 55.5 tp -47.73 -50.15 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.86 -58.79 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.9 -50.45 46.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 34.3 t80 -54.01 -55.41 27.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.3 m -44.42 -48.08 9.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CA ' HD12 ' A' ' 129' ' ' ILE . 19.0 t80 -46.84 -40.62 14.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 13.8 mt -71.88 -45.74 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -44.89 -47.81 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -54.72 -34.51 62.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.53 11.29 38.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 52.28 35.24 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 -4.82 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -40.56 -43.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 10.7 pm0 -34.21 -34.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 51.9 m-20 -57.78 -57.73 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -66.05 -27.36 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.52 -42.62 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.513 ' HD2' HG21 ' A' ' 112' ' ' VAL . 52.7 t80 -70.74 -40.61 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -56.02 -42.37 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.8 mt -69.31 -47.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -41.96 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 47.6 m -56.43 -53.65 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -51.95 -38.46 56.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.45 -22.42 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' ' 51' ' ' CYS . 11.7 t80 -62.83 -46.31 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -61.79 -45.36 94.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' LYS . 29.1 mtpt -33.2 -34.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.7 t -52.1 145.6 10.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -113.81 -37.79 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.77 169.64 30.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.1 Cg_endo -69.78 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.414 HE21 ' CD1' ' A' ' 65' ' ' LEU . 13.5 tp60 -44.15 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.15 -45.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 60' ' ' PRO . 71.6 mt -59.24 -51.65 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -53.52 -53.88 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 65' ' ' LEU . 7.8 mp -55.83 -53.92 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -54.36 -48.99 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.81 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -66.55 -55.49 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 19.5 mt -56.37 -37.91 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 6.1 t80 -55.93 -61.5 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.66 -4.06 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 15.6 tttp -91.72 -68.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 81' ' ' LYS . 1.6 m-85 -98.34 -61.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 38.1 mm -35.83 -67.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.0 pt20 -53.82 138.67 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -77.15 173.31 12.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' ' 77' ' ' THR . 29.1 m-20 50.49 31.94 6.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 168.94 7.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.2 Cg_endo -69.87 -27.14 26.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 29.9 mmtt -118.03 18.0 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 77' ' ' THR . 8.8 tm-20 -52.13 117.55 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 74' ' ' PHE . 28.8 m -109.85 173.78 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -91.61 102.03 14.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.96 151.11 36.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.39 144.94 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.51 -50.21 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -61.39 -64.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -46.62 -42.79 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -64.06 -40.33 96.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 94' ' ' THR . 10.0 tt0 -75.16 -62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.5 p -38.25 -40.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.452 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -69.14 -37.8 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 91' ' ' GLU . 94.6 m -63.56 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -86.15 -21.26 27.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.1 m -107.29 18.04 22.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -70.62 -7.23 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.669 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 31.3 p -104.76 -20.93 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.818 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 15.3 mm-40 -118.06 29.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 p -95.86 174.42 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.64 -29.95 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -95.91 18.11 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 t -79.02 -70.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 13.2 m-85 -51.05 -34.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 32.2 t70 -35.33 -43.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.54 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.84 -48.7 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -46.36 -43.25 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.3 t -59.45 -42.49 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -62.13 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.513 HG21 ' HD2' ' A' ' 47' ' ' PHE . 57.9 t -54.93 -43.32 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -49.62 -48.25 49.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 28.0 mt-30 -64.08 -37.49 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 9.2 mt -65.87 -27.09 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' A' ' 120' ' ' SER . 52.7 mtm -93.76 -12.65 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 6.8 tm-20 -95.88 -17.11 21.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.566 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.2 OUTLIER -57.89 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -35.92 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 116' ' ' MET . 13.1 t -52.81 -32.99 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 5.8 t80 -71.05 -66.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.6 t -56.22 -33.73 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -62.28 -52.03 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 62.9 t80 -45.07 -37.03 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 122' ' ' THR . 11.4 mt -57.75 -43.86 85.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -96.4 17.48 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 p -89.06 138.17 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 131' ' ' LEU . 35.8 t0 -45.15 -46.87 12.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.504 HD12 ' CA ' ' A' ' 35' ' ' PHE . 71.0 mt -50.86 -56.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 130' ' ' TYR . 2.2 t80 -50.91 -43.9 59.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 128' ' ' ASP . 10.0 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.97 -36.02 54.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' GLU . 27.2 mtmt -79.62 -42.69 24.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.2 m0 -36.05 -46.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.71 -42.3 77.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mt-10 -33.51 -63.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.8 p -135.42 151.46 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.85 -34.87 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.36 59.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -40.18 -59.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -41.82 -60.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -53.0 -44.19 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -47.08 -41.78 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.86 132.24 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -59.4 -57.44 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -41.13 -51.09 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.49 -48.82 79.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.17 -49.94 70.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.768 0.318 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.87 -55.91 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.11 80.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 68.3 t80 -54.29 -49.81 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -56.01 -52.44 64.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -45.31 -52.3 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 123' ' ' ARG . 4.5 t80 -49.44 -42.78 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 45' ' ' ILE . 19.0 mt -72.8 -42.85 63.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -44.6 -48.46 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -59.91 -36.42 76.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -89.88 8.94 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 52.79 33.7 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -112.98 -7.2 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pm0 -43.95 -41.22 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -35.65 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.599 ' O ' HG11 ' A' ' 112' ' ' VAL . 50.2 m-20 -66.26 -58.28 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -65.4 -40.46 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 6.2 mt-10 -43.51 -48.08 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HD2' HG21 ' A' ' 112' ' ' VAL . 71.1 t80 -63.44 -44.1 95.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 17.7 t90 -50.05 -40.17 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.86 -55.45 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.88 -43.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.5 m -58.88 -49.34 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 61.3 mm-40 -50.71 -50.34 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.02 -28.78 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 5.5 t80 -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -73.23 -40.58 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -37.58 -33.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -52.33 150.7 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -116.9 -37.8 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.7 165.94 31.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -38.34 -68.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -39.34 -65.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 71.5 mt -35.91 -55.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -53.32 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mp -49.64 -59.31 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -51.45 -42.71 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.82 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -64.41 -58.44 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.28 -54.97 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.66 -37.49 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 75' ' ' ILE . 3.9 t80 -58.04 -60.41 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 54.7 mt-10 -64.84 -3.69 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 tttp -94.06 -58.56 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 15.0 m-85 -108.77 -62.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 71' ' ' TYR . 46.3 mm -32.47 -73.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.45 HE21 ' N ' ' A' ' 79' ' ' ALA . 7.3 pt20 -52.81 165.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -98.72 -27.75 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.96 17.95 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.87 154.71 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.92 -32.78 17.24 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 22.0 mmtt -103.44 18.06 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.05 128.44 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG2' HH22 ' A' ' 111' ' ' ARG . 32.7 m -114.41 157.47 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.571 ' O ' ' NH2' ' A' ' 111' ' ' ARG . 4.4 m-20 -77.95 102.18 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.824 HD23 ' HE ' ' A' ' 111' ' ' ARG . 15.5 mt -102.99 140.62 37.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' PHE . 1.4 m-20 -52.07 135.24 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -32.48 -51.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -68.23 -57.45 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.493 HG21 HD22 ' A' ' 85' ' ' LEU . 96.8 m -45.52 -35.62 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.61 -49.56 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' THR . 19.4 tt0 -63.25 -59.4 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -40.0 -47.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.57 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 98.1 mt -66.62 -36.6 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLU . 30.0 m -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.196 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -86.23 -16.18 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -109.75 17.93 20.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.448 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -77.0 -7.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.681 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.1 p -106.28 -23.61 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.829 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 7.4 mm100 -118.09 28.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.829 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.74 126.14 12.97 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.407 ' N ' ' HB2' ' A' ' 104' ' ' SER . 60.6 p -97.58 178.27 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.6 -23.53 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -104.72 16.7 25.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 101' ' ' THR . 1.4 t -69.03 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' ASP . 29.4 m-85 -51.13 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 105' ' ' PHE . 3.1 t70 -35.66 -46.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -56.06 27.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -56.46 -47.92 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -48.31 -45.53 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -59.1 -24.61 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.824 ' HE ' HD23 ' A' ' 85' ' ' LEU . 1.9 tmm_? -73.61 -61.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.615 HG22 ' NH1' ' A' ' 111' ' ' ARG . 26.2 t -56.4 -43.08 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -44.86 -39.35 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 115' ' ' LEU . 52.6 mt-30 -75.41 -63.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.755 HD12 ' NH1' ' A' ' 111' ' ' ARG . 6.2 mt -34.09 -38.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' GLN . 78.8 mtm -74.72 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 117' ' ' GLU . 6.4 tm-20 -42.38 -22.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' MET . 17.6 mt-30 -59.1 -70.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -37.69 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' MET . 12.2 m -46.9 -46.71 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' A' ' 125' ' ' LEU . 19.5 t80 -69.23 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.4 p -44.02 -38.39 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 12.8 ttm180 -74.65 -37.2 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 73.4 t80 -62.74 -40.04 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 68.9 mt -59.7 -25.22 64.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -112.85 15.31 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 p -88.18 124.12 33.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -40.15 -41.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -54.46 -54.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.0 OUTLIER -60.57 -42.8 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -73.79 -44.55 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -59.09 -60.68 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.28 128.73 8.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -157.02 115.02 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -128.64 140.48 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.35 92.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 p -102.51 131.61 22.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.71 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -70.94 -36.39 72.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.99 -37.42 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -54.96 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.69 -38.27 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -74.93 -42.1 58.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.498 ' CZ3' ' HA2' ' A' ' 28' ' ' GLY . 39.4 m0 -45.21 -39.77 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -55.26 -33.68 58.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.535 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.1 mm-40 -35.74 -48.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -162.93 157.13 20.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 24.0 t80 -57.29 -47.65 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -53.08 -51.24 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -43.87 -48.41 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.2 tp -57.52 -51.91 67.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 30.6 mt -57.93 -50.2 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -37.24 -43.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -92.16 140.11 29.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -63.83 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -43.92 -57.46 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.94 -55.53 17.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.411 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 23' ' ' LEU . 58.6 tp -54.12 -58.84 5.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.13 60.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.708 ' HB2' HD21 ' A' ' 22' ' ' LEU . 16.6 t80 -55.21 -47.47 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.545 HG23 HG21 ' A' ' 45' ' ' ILE . 87.5 m -59.38 -47.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.204 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -45.16 -50.3 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 123' ' ' ARG . 4.1 t80 -51.87 -44.63 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 12.7 mt -69.27 -43.29 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 54.2 mttt -48.6 -46.1 38.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -61.96 -34.98 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -93.76 13.69 21.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 52.16 34.73 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 -13.99 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 45' ' ' ILE . 3.1 pm0 -40.65 -34.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 16.0 pt-20 -39.98 -38.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -59.94 -57.15 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.0 tp -61.88 -31.93 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.41 -42.11 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HD2' HG21 ' A' ' 112' ' ' VAL . 40.7 t80 -69.98 -45.68 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.628 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 29.3 t90 -52.39 -39.69 61.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' CYS . 15.4 mt -66.86 -66.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.0 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ILE . 94.5 m -68.3 -67.12 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 1.1 pp20? -42.77 -32.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -83.98 -36.22 23.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 t80 -53.22 -41.82 65.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 52' ' ' GLU . 7.6 mtmp? -61.25 -30.79 70.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -79.7 14.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -71.3 157.03 38.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -121.31 123.71 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.66 171.5 30.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 Cg_endo -69.75 -36.06 11.51 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 65' ' ' LEU . 6.6 tp60 -52.08 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -47.5 -46.88 27.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.487 HG23 ' CE1' ' A' ' 54' ' ' PHE . 31.3 mt -58.73 -44.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.47 -52.3 53.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.8 mp -54.92 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -52.85 -43.0 65.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -56.74 -57.14 13.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -53.28 -49.91 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -57.76 -66.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.437 HG23 ' CD1' ' A' ' 74' ' ' PHE . 57.5 mt -50.35 -38.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.498 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -59.63 -64.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 36.8 mt-10 -68.14 0.67 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 21.0 tttp -97.06 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 7.6 m-85 -98.03 -62.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 40.4 mm -31.93 -68.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.225 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.672 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 5.5 pt20 -56.81 152.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 79' ' ' ALA . 6.8 m -91.03 -31.98 16.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 15.9 t0 -73.17 17.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -104.79 161.48 22.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.74 -46.06 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -90.2 17.99 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.07 118.21 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.2 m -101.04 171.01 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -77.1 104.45 7.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.548 ' HG ' HG23 ' A' ' 83' ' ' VAL . 69.0 mt -126.59 160.92 29.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.22 143.62 47.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.91 -57.2 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -52.15 -62.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.1 m -42.54 -40.54 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.37 -44.73 62.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -66.76 -62.11 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.8 -47.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.563 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 95.1 mt -65.02 -43.73 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.8 m -54.03 -41.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -85.52 -33.83 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.8 t -91.89 17.3 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.3 tp -66.86 -12.69 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.645 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.7 t -104.49 -15.99 15.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.797 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 80.0 mt-30 -117.99 30.41 0.15 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.87 148.83 65.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.6 p -134.2 177.75 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.18 -29.6 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -98.42 17.45 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -93.59 -63.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 8.1 m-85 -52.3 -38.08 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 17.9 t70 -32.79 -42.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.91 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.86 -48.23 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 56.6 tt0 -49.56 -41.17 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 -43.82 98.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -54.91 -56.29 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 47' ' ' PHE . 98.0 t -65.82 -53.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -39.18 -40.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -75.91 -53.44 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.2 mt -37.82 -49.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.468 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 35.6 mtm -69.42 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.2 tm-20 -43.37 -26.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -74.13 -67.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 120' ' ' SER . 72.8 m-20 -98.02 -66.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ASP . 55.9 m -31.95 -60.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -51.61 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.9 p -46.22 -58.11 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 35' ' ' PHE . 23.2 tpp85 -53.98 -40.67 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 25.5 t80 -61.36 -40.22 93.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.13 -36.19 63.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -95.5 17.91 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.4 p -91.33 144.12 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.61 -52.83 35.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -43.8 -48.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 133' ' ' LEU . 65.1 t80 -66.2 -66.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' TYR . 28.7 mt -33.83 -60.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' LEU . 28.0 t70 -35.09 -46.97 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 130' ' ' TYR . 19.5 mt -39.24 -48.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.431 ' HE3' ' HB3' ' A' ' 134' ' ' MET . 0.0 OUTLIER -94.85 -38.33 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' GLY . 1.6 m 51.94 39.31 25.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 135' ' ' SER . . . -35.38 147.11 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.25 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 t -148.9 128.69 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.8 t -95.89 176.57 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -71.83 -53.6 12.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -67.41 130.19 42.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.92 -49.89 0.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -107.72 166.52 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -103.05 113.84 27.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.34 173.53 54.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -132.45 137.96 31.09 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.672 0.748 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.7 2.267 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -90.37 -40.06 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.58 -50.06 8.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -49.22 -43.56 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.6 -40.09 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -72.58 -43.06 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.2 m0 -44.35 -49.4 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.91 -38.65 65.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLY . 16.0 mm-40 -37.8 -46.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 t -160.83 162.36 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 29.7 t80 -62.37 -40.51 96.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.45 -42.98 99.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -52.67 -45.85 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 15' ' ' TRP . 7.3 tp -60.96 -51.34 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 19' ' ' PHE . 38.0 mt -57.81 -49.34 76.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -37.88 -48.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CB ' ' HE1' ' A' ' 15' ' ' TRP . 43.1 t-80 -87.13 136.62 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -64.21 -59.29 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.92 -54.97 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.98 -42.71 99.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.56 -48.85 80.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -49.98 -56.67 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.18 -42.18 50.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 41.6 t80 -58.15 -62.14 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 m -43.13 -45.07 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -50.43 -60.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -43.24 -45.46 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 36.2 mt -67.8 -46.69 71.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -44.36 -49.19 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -55.89 -39.6 71.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.64 13.26 22.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 52.44 37.01 21.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -116.53 13.2 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.2 pm0 -61.12 -40.56 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' HG12 ' A' ' 83' ' ' VAL . 17.0 pt-20 -39.51 -41.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -52.33 -53.24 46.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -71.63 -35.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.32 -42.98 43.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.7 ' CD2' HG21 ' A' ' 112' ' ' VAL . 18.3 t80 -66.24 -41.59 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -57.52 -42.2 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.06 -53.1 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.53 -43.79 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 93.4 m -51.67 -53.46 38.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -52.01 -48.16 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -63.8 -39.5 94.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 45.4 t80 -59.18 -42.45 90.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HA ' HD22 ' A' ' 102' ' ' LEU . 47.9 mtmt -64.46 -44.73 90.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -38.87 -37.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t -52.43 148.92 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -113.89 -38.05 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.63 166.0 30.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.84 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.7 Cg_endo -69.96 -35.45 12.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -44.28 -67.96 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -48.44 -49.33 35.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 60' ' ' PRO . 46.4 mt -48.71 -41.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -70.51 -58.42 3.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.8 mp -54.45 -60.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -52.13 -44.81 64.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 63' ' ' ILE . . . -46.02 -56.5 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.23 -61.74 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.18 -58.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.482 HG23 ' HD2' ' A' ' 74' ' ' PHE . 45.1 mt -63.29 -40.97 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -57.16 -60.62 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 62.5 mt-10 -66.19 -1.52 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 35.2 tttm -96.41 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.4 m-85 -98.08 -62.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 49.9 mm -32.03 -72.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.47 158.95 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.49 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.5 m -94.52 -31.95 13.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 14.6 t0 -72.15 18.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -102.88 156.59 35.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.4 Cg_endo -69.76 -32.21 19.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -102.56 18.03 22.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.03 119.71 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.3 m -104.44 175.44 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.665 ' OD1' HD13 ' A' ' 115' ' ' LEU . 1.9 p30 -77.72 107.0 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 75' ' ' ILE . 41.8 mt -129.3 154.13 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.31 147.58 53.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -55.89 -53.44 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -56.17 -43.42 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.084 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -69.89 -43.56 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.49 -58.9 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -42.85 -47.34 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.222 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.569 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -64.35 -42.32 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.5 m -52.51 -41.81 63.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.38 -35.18 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -91.13 18.04 7.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.454 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -69.29 -9.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.696 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.1 t -106.64 -15.5 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.835 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 mm100 -118.03 27.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.835 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.7 Cg_endo -69.74 149.41 67.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -133.86 177.86 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 55' ' ' LYS . 78.9 mt -66.82 -27.08 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -100.75 17.96 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.1 m -89.77 -66.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 106' ' ' ASP . 9.2 m-85 -47.82 -37.09 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.8 t70 -32.37 -45.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.85 -56.37 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.77 93.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -54.0 -43.23 69.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -60.15 -38.51 83.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -57.7 -60.57 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.7 HG21 ' CD2' ' A' ' 47' ' ' PHE . 83.9 t -62.31 -51.85 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -40.9 -51.04 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 115' ' ' LEU . 26.4 mm100 -66.16 -56.79 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.665 HD13 ' OD1' ' A' ' 84' ' ' ASN . 5.7 mt -35.21 -50.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.498 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 57.9 mtm -66.57 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 32.8 tt0 -39.95 -27.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' MET . 53.5 mm-40 -69.88 -66.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' SER . 2.1 m-20 -98.0 -63.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 3.0 m -32.04 -56.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.456 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 33.9 t80 -57.11 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 50.7 p -42.12 -45.34 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.11 -34.13 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -67.06 -43.55 82.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.62 -36.48 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -96.71 15.85 20.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.4 p -90.31 129.83 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.39 -40.59 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.6 -51.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.733 ' HA ' HD23 ' A' ' 133' ' ' LEU . 6.5 t80 -62.19 -62.07 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt -51.05 -31.1 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.68 -58.65 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -39.65 -37.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 135' ' ' SER . 3.4 ptp -91.55 -35.61 14.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 134' ' ' MET . 6.8 t 53.21 42.63 32.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.87 143.79 18.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 121.86 8.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.7 m -78.59 132.51 37.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 t -88.91 -62.3 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -71.99 -59.46 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -107.13 125.44 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.39 99.51 0.32 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -129.79 139.17 51.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -54.46 -45.22 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 119.58 0.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -107.14 142.47 25.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.716 0.77 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 5.1 tp10 -82.92 -36.09 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 23.4 pt-20 -87.52 -52.56 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' GLU . . . -41.2 -43.78 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.725 HG13 ' HD3' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -51.98 -38.4 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.725 ' HD3' HG13 ' A' ' 13' ' ' VAL . 4.4 mmtp -77.04 -45.48 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CD2' HD12 ' A' ' 22' ' ' LEU . 52.3 m0 -42.84 -41.6 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -57.19 -35.58 71.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLY . 6.2 mm-40 -34.12 -59.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -157.65 148.0 20.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 33.4 t80 -42.41 -49.47 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -56.1 -43.15 77.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -42.05 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 15' ' ' TRP . 8.3 tp -62.81 -59.17 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 19' ' ' PHE . 19.7 mt -48.09 -50.31 28.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' LEU . 6.1 t -37.32 -42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 19.7 t-80 -84.12 139.52 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -70.53 -53.7 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 m-20 -51.78 -49.95 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.503 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -63.51 -45.39 94.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.489 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.9 -45.41 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.15 -47.02 79.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.51 92.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 36' ' ' LEU . 85.6 t80 -53.51 -60.04 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.534 HG22 ' CG ' ' A' ' 37' ' ' LYS . 92.4 m -41.03 -53.86 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.181 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' PHE . 95.6 mtt180 -39.82 -64.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HA ' HD12 ' A' ' 129' ' ' ILE . 17.2 t80 -37.5 -43.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mt -74.27 -46.85 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.534 ' CG ' HG22 ' A' ' 33' ' ' THR . 20.6 mtpt -47.06 -45.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -59.33 -37.77 78.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -95.13 14.24 22.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 52.44 34.28 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -109.17 -9.72 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.46 -43.18 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.533 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.3 pt-20 -33.92 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.549 ' HA ' HG11 ' A' ' 83' ' ' VAL . 10.6 m-20 -63.02 -58.64 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -65.48 -37.93 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -47.69 -43.46 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 75' ' ' ILE . 82.1 t80 -68.93 -44.8 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 43.6 t90 -51.2 -47.35 62.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.7 mt -69.62 -53.71 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.82 -41.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.0 m -60.56 -56.17 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.3 mm-40 -46.83 -45.48 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.03 -26.31 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 7.7 t80 -63.22 -48.07 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 1.4 ptpm? -64.26 -38.69 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 54.4 mttp -38.15 -34.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.22 154.34 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -117.36 -37.1 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.59 163.84 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.592 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.82 -51.24 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.545 ' O ' HD13 ' A' ' 65' ' ' LEU . 4.4 tp60 -39.01 -65.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -45.97 -44.33 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 60' ' ' PRO . 61.7 mt -60.34 -51.45 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -58.12 -40.27 80.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 61' ' ' GLN . 9.7 mp -69.27 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.7 mtmp? -53.36 -41.6 65.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.41 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.77 -51.4 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.5 mt -52.19 -41.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.45 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 3.9 t80 -50.27 -68.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 37.5 mt-10 -63.74 -4.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 39.9 tttt -82.5 -67.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -110.52 -49.04 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 46.9 mm -43.08 -66.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' CG ' ' HA ' ' A' ' 72' ' ' GLU . 4.4 pt20 -58.94 144.63 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -78.3 177.97 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 77' ' ' THR . 5.6 m-20 47.39 32.09 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.856 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.57 169.55 7.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.856 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.75 -31.54 20.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.609 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.4 mmtp -117.99 17.4 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -51.98 134.18 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' HG ' ' A' ' 85' ' ' LEU . 35.4 m -124.19 165.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -70.76 103.33 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 83' ' ' VAL . 85.8 mt -130.81 149.0 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.8 151.53 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -56.62 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.39 -41.3 13.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -63.04 -38.83 92.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.03 -39.71 60.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.79 -58.95 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.2 p -43.66 -46.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.556 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 93.1 mt -67.4 -42.41 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.6 m -55.98 -38.27 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -87.92 -33.01 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -91.06 17.96 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.449 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -71.81 -7.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.676 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.2 t -106.26 -20.79 13.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.822 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 25.4 pt20 -117.98 28.85 0.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.86 140.31 41.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.1 p -113.56 178.34 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 55' ' ' LYS . 86.6 mt -58.25 -18.47 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.22 18.04 20.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 t -61.45 -51.34 69.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -81.37 15.37 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.46 -51.87 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.81 43.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -47.0 -42.66 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.3 t -59.27 -39.82 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -61.33 -55.53 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 115' ' ' LEU . 87.6 t -60.01 -55.84 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t80 -36.32 -45.73 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' LEU . 17.3 mm-40 -70.51 -52.44 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 112' ' ' VAL . 4.1 mt -36.37 -43.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.448 ' CA ' ' HB3' ' A' ' 120' ' ' SER . 75.5 mtm -74.99 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 24.2 tt0 -46.79 -22.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -62.41 -69.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.86 -37.29 3.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.448 ' HB3' ' CA ' ' A' ' 116' ' ' MET . 32.8 t -49.86 -61.15 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.8 t80 -49.33 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -49.55 -35.61 20.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 123' ' ' ARG . 10.8 ttm-85 -70.66 -46.69 62.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.15 -37.89 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 71.2 mt -59.36 -43.0 92.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -97.79 16.52 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.4 p -87.78 152.52 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.72 -50.23 74.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' PHE . 90.9 mt -46.76 -47.19 7.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.795 ' HA ' HD23 ' A' ' 133' ' ' LEU . 91.0 t80 -67.56 -61.7 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.03 -30.74 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -80.44 -55.6 4.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -44.57 -33.72 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 135' ' ' SER . 4.5 ptp -94.04 -34.51 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 134' ' ' MET . 5.3 t 52.27 43.49 30.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -135.74 -160.35 8.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 128.65 16.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.8 p -62.8 144.07 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -52.11 56.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -79.99 109.12 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -117.73 134.08 55.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.795 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.48 89.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 144.93 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -93.26 -58.23 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.23 165.9 13.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -120.43 156.12 55.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' O ' HG12 ' A' ' 13' ' ' VAL . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.52 -37.18 71.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -79.2 -45.79 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.535 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -55.53 -56.23 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 9' ' ' PRO . 5.0 p -45.09 -39.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -72.74 -45.65 57.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.4 m0 -41.11 -42.38 1.99 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -56.74 -37.57 77.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLY . 33.5 mm-40 -37.81 -57.79 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -149.42 150.04 31.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.68 -26.86 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.35 -54.69 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -46.63 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.58 -47.63 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.0 mt -65.06 -53.2 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LEU . 8.1 t -34.4 -44.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -83.13 150.97 25.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -77.92 -57.48 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.71 -52.27 8.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.21 -39.14 96.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 tp -64.47 -54.28 35.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.706 0.288 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.71 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.12 -54.71 22.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.618 ' CE2' HD11 ' A' ' 36' ' ' LEU . 63.7 t80 -41.23 -50.98 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' CG ' ' A' ' 37' ' ' LYS . 96.2 m -51.75 -60.92 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' THR . 47.4 mtm-85 -37.79 -54.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 4.9 t80 -47.86 -43.98 28.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.618 HD11 ' CE2' ' A' ' 32' ' ' PHE . 12.5 mt -72.83 -45.15 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' CG ' HG22 ' A' ' 33' ' ' THR . 9.3 mtpt -44.04 -49.76 8.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -58.44 -38.98 78.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -92.09 13.91 17.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 52.12 33.62 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.8 m -106.54 -11.0 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.1 pp20? -44.04 -43.6 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 14.1 pt-20 -37.12 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.0 m-20 -72.66 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.449 HD13 ' CE2' ' A' ' 32' ' ' PHE . 9.1 tp -66.42 -33.0 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' ' OE1' ' A' ' 42' ' ' GLU . 7.9 mt-10 -47.02 -43.96 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -70.22 -45.56 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.439 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.9 t90 -46.34 -46.77 18.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.06 -47.85 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.43 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.55 -50.43 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 15.5 mm-40 -55.8 -54.64 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -60.86 -33.47 73.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 22.5 t80 -60.12 -34.05 72.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' LYS . 42.8 mtmt -68.89 -44.9 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 36.4 mttm -37.27 -39.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.7 m -52.31 144.28 13.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.31 -33.75 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 58' ' ' LYS . . . -86.03 164.87 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.7 Cg_endo -69.72 -51.77 0.37 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -40.87 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.43 -53.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 60' ' ' PRO . 70.3 mt -48.23 -54.09 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -59.74 -53.67 55.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -49.52 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -58.03 -55.06 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.3 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.022 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -63.86 -50.59 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -59.05 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.86 -36.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.62 ' HD2' HD13 ' A' ' 97' ' ' ILE . 8.0 t80 -56.92 -68.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 48.3 mt-10 -63.89 -0.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.831 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 36.2 tttt -92.64 -53.2 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 9.2 m-85 -118.07 -45.28 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 71' ' ' TYR . 44.5 mm -50.93 -69.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 6.0 pt20 -52.0 147.5 7.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.4 m -75.1 -37.23 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -72.78 17.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -90.55 145.77 33.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.564 0.697 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.55 30.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.591 2.194 . . . . 0.0 112.305 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -115.46 18.03 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -50.44 115.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.32 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 104.65 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 75' ' ' ILE . 21.4 mt -126.54 139.92 52.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.18 144.29 57.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -45.13 -53.98 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -53.78 -55.69 24.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.1 m -49.09 -43.12 40.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -69.45 -44.66 70.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 40.2 tt0 -64.01 -64.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -38.71 -47.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 91.9 mt -66.07 -36.96 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 88.2 m -55.0 -43.41 73.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.42 -33.5 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.6 t -90.02 18.03 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.62 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -74.24 -13.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -106.67 -16.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 30.3 mm-40 -118.01 27.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.8 157.22 61.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.739 2.293 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 p -133.33 176.98 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.9 -23.41 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -104.92 17.08 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.2 t -86.62 -70.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASP . 18.2 m-85 -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' PHE . 8.7 t70 -37.28 -41.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.06 14.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.14 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -50.99 -48.06 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.5 t -55.89 -40.14 72.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -53.8 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.28 -50.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -43.28 -47.11 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 15.0 mm100 -69.15 -50.11 50.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.3 -49.66 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.466 ' CA ' ' HB2' ' A' ' 120' ' ' SER . 53.9 mtm -64.41 -61.48 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -38.98 -29.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.6 mt-30 -53.22 -70.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.99 -37.72 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.466 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 67.4 m -47.63 -50.68 23.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.75 -59.62 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -49.77 -34.77 20.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 10.3 ttm180 -72.66 -49.66 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 58.7 t80 -51.78 -27.68 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.17 -30.27 63.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -103.12 16.96 25.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' ASP . 68.2 p -95.5 120.36 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.731 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -34.65 -41.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.22 -56.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.551 ' HA ' HD12 ' A' ' 133' ' ' LEU . 16.5 t80 -68.89 -43.41 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 128' ' ' ASP . 95.5 mt -45.59 -34.54 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' LEU . 15.2 t70 -72.38 -48.64 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 130' ' ' TYR . 10.8 mt -38.07 -45.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 135' ' ' SER . 8.2 ptp -92.37 -36.36 13.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 134' ' ' MET . 83.4 p 52.32 41.1 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' SER . . . -101.52 179.59 28.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 11.54 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 136' ' ' GLY . 7.6 t -82.65 17.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.1 m -92.86 -49.5 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -68.53 -59.41 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -148.19 156.36 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 112.26 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -98.35 18.05 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -93.76 -56.14 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.79 -139.91 15.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -157.2 114.27 1.93 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 110.865 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.53 30.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.713 2.275 . . . . 0.0 112.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.4 -38.19 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -77.67 -37.14 50.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HB1' ' CE ' ' A' ' 134' ' ' MET . . . -54.05 -55.58 26.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.91 -35.72 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 52.4 mttt -73.84 -47.89 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -38.59 -53.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -44.18 -36.92 4.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' GLY . 35.3 mt-10 -33.58 -54.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -164.27 159.44 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 3.9 t80 -55.93 -42.29 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.87 -45.6 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -54.09 -41.42 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.6 -61.17 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.17 -45.9 61.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -48.14 -42.01 28.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -80.89 146.62 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -55.42 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -53.15 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.63 -47.19 58.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.3 -54.44 37.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.325 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -48.92 -59.94 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.15 79.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 23.3 t80 -54.04 -49.63 68.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 92.4 m -50.81 -51.14 53.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -42.58 -61.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HA ' HD12 ' A' ' 129' ' ' ILE . 3.0 t80 -39.83 -43.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.639 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 47.1 mt -72.49 -49.44 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 33' ' ' THR . 20.4 mttt -43.3 -46.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -38.99 82.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -96.01 15.72 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.97 34.04 12.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.462 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -104.11 -11.61 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.3 pp20? -42.67 -46.5 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -34.47 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-20 -65.01 -58.95 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -64.22 -35.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -51.84 -46.1 64.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 89.6 t80 -65.36 -41.74 93.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -52.63 -46.57 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.35 -53.84 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.39 -25.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 81.4 m -78.59 -69.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -44.89 -24.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.93 -29.26 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -62.58 -36.62 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LYS . 16.7 ptpt -75.37 -37.34 60.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.5 mtpp -37.98 -37.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.12 155.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 -37.17 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.6 165.04 23.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.54 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.84 -42.88 2.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.92 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 2.9 tp60 -48.73 -45.17 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.766 HD11 HD21 ' A' ' 102' ' ' LEU . 95.0 mt -54.7 -43.34 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -63.44 -49.52 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.62 -61.1 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 69.2 mttt -54.79 -56.42 19.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.67 -55.2 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.39 -56.82 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.435 HG23 ' CE1' ' A' ' 74' ' ' PHE . 25.5 mt -49.11 -42.56 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 2.1 t80 -53.88 -66.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -64.01 -4.37 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 19.7 tttt -88.71 -69.48 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.02 -62.11 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' PHE . 43.5 mm -34.18 -67.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.497 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.6 pt20 -53.19 140.08 27.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -78.54 172.02 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.641 ' H ' HG22 ' A' ' 77' ' ' THR . 0.9 OUTLIER 51.2 32.14 7.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.906 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 171.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.906 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 55.0 Cg_endo -69.71 -31.82 20.0 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 18.2 mmtp -117.99 16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 3.0 pp20? -52.04 114.74 1.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.61 HG23 ' HG ' ' A' ' 85' ' ' LEU . 33.9 m -100.7 171.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -72.08 104.49 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' A' ' 83' ' ' VAL . 72.0 mt -136.7 141.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.05 140.61 56.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -43.84 -46.42 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -50.36 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.2 m -43.36 -47.39 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -61.35 -48.98 78.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -54.39 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -49.71 -46.22 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.34 -43.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.5 m -53.33 -44.37 68.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -84.22 -33.12 24.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 t -92.41 18.04 9.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.472 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -69.43 -11.0 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.659 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -104.07 -19.9 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.812 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 31.5 mt-30 -118.06 29.84 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.1 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.274 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -97.82 177.83 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.766 HD21 HD11 ' A' ' 63' ' ' ILE . 96.7 mt -69.86 -29.74 67.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -98.6 17.9 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -79.24 -70.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASP . 19.4 m-85 -44.87 -30.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -36.83 -41.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.11 77.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.444 ' NE2' ' HB2' ' A' ' 51' ' ' CYS . 52.8 tt0 -50.59 -39.65 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t -55.9 -55.26 34.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -43.36 -60.57 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.612 HG12 ' HE2' ' A' ' 116' ' ' MET . 76.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -41.7 -40.65 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -77.31 -51.74 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 7.1 mt -51.65 -34.32 37.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.612 ' HE2' HG12 ' A' ' 112' ' ' VAL . 62.3 mtm -80.18 -55.04 5.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 121' ' ' TYR . 37.6 tt0 -51.53 -16.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 115' ' ' LEU . 4.5 pt20 -102.71 -38.12 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.418 ' OD1' ' HD3' ' A' ' 123' ' ' ARG . 4.4 t0 -98.07 -70.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 36' ' ' LEU . 3.4 p -48.51 -45.09 36.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.635 ' CE2' HD11 ' A' ' 125' ' ' LEU . 26.7 t80 -62.47 -67.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 p -39.65 -52.34 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 36.6 mtp180 -67.1 -48.84 66.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.72 -50.8 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 121' ' ' TYR . 87.5 mt -54.26 -35.32 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -103.5 17.5 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -91.47 136.91 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -45.28 -55.26 6.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 133' ' ' LEU . 75.0 mt -41.63 -52.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.461 ' O ' ' SD ' ' A' ' 134' ' ' MET . 28.2 t80 -63.29 -58.83 5.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.3 mt -53.5 -22.0 7.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 133' ' ' LEU . 19.1 t70 -72.7 -56.85 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 129' ' ' ILE . 1.7 mp -34.92 -51.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.528 ' CE ' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -89.06 -33.55 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.486 ' N ' ' HG2' ' A' ' 134' ' ' MET . 13.7 t 63.69 45.99 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -138.82 149.9 20.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 127.38 14.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.381 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.9 p -100.21 128.76 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.7 m -105.36 145.54 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -45.5 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -59.19 -46.93 87.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.79 83.43 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.539 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 p -89.99 -45.83 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -50.04 -45.34 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.792 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.6 166.14 19.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 t -116.14 130.2 24.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.723 0.773 . . . . 0.0 110.777 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.03 32.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 13' ' ' VAL . 39.7 tt0 -76.16 -42.6 46.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -39.31 54.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -54.82 -52.48 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 10' ' ' GLU . 4.3 p -53.42 -31.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 17' ' ' GLU . 39.9 mttm -78.8 -48.67 14.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.626 ' HZ3' HD21 ' A' ' 133' ' ' LEU . 53.7 m0 -37.8 -43.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.56 -41.45 73.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' LYS . 22.6 mt-10 -38.04 -64.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -141.29 153.17 45.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 25.4 t80 -60.41 -40.67 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -57.03 13.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -40.0 -47.75 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 15' ' ' TRP . 6.1 tp -55.38 -58.95 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.27 -50.01 65.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -39.47 -47.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.91 148.47 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -77.35 -55.25 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.93 -52.31 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.51 -54.35 37.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HD11 ' A' ' 45' ' ' ILE . 56.2 tp -46.57 -54.68 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -49.74 -55.0 15.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.11 78.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.682 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 25.2 t80 -52.88 -48.26 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.5 m -52.6 -53.08 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -38.75 -54.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 129' ' ' ILE . 26.8 t80 -48.68 -43.15 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 14.8 mt -72.59 -46.99 51.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' A' ' 33' ' ' THR . 22.7 mtpt -41.84 -41.62 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -65.2 -36.15 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.0 mt-10 -94.56 11.5 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 52.04 33.32 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.7 t -107.8 -17.7 14.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.5 pp20? -39.06 -42.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 83' ' ' VAL . 11.1 pt-20 -33.41 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' GLU . 75.9 m-20 -63.41 -58.83 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.4 tp -60.2 -29.84 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.89 -45.26 71.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 44.0 t80 -68.5 -46.81 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.497 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 13.8 t90 -51.26 -37.51 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 HD21 ' A' ' 29' ' ' LEU . 14.2 mt -71.11 -55.05 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.35 -36.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HB2' ' NE2' ' A' ' 109' ' ' GLN . 92.8 m -60.77 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -44.34 -37.69 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -82.49 -34.25 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.786 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.8 t80 -58.79 -46.21 88.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -38.37 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.64 -31.03 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 m -56.09 144.57 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 107.12 14.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.99 162.21 11.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.5 Cg_endo -69.71 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 65' ' ' LEU . 9.2 tm0? -38.41 -70.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -43.37 -52.96 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.786 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 66.8 mt -48.77 -54.23 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -51.05 -51.45 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' OE1' ' A' ' 61' ' ' GLN . 22.1 mt -52.4 -67.03 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -53.53 -58.08 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -38.86 -45.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -62.82 -53.07 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -58.56 -62.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.7 mt -49.78 -39.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -59.46 -66.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 21.6 mt-10 -66.96 -1.16 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 73.0 tttt -92.64 -62.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 5.5 m-85 -104.04 -63.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.536 HD13 ' CD1' ' A' ' 85' ' ' LEU . 48.3 mm -32.05 -71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 6.2 pt20 -55.88 156.13 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 4.0 m -91.0 -30.36 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 16.9 t70 -72.81 18.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -104.8 156.86 35.35 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 52.7 Cg_endo -69.81 -40.38 5.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -95.67 17.89 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -52.0 121.9 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -105.0 176.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -82.09 104.38 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.536 ' CD1' HD13 ' A' ' 75' ' ' ILE . 27.1 mt -126.51 146.91 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.21 142.68 46.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 4.3 t80 -50.26 -54.55 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -53.37 -61.86 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -42.89 -42.13 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.54 -51.9 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -56.6 -50.25 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -51.58 -43.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 75' ' ' ILE . 95.6 mt -68.38 -43.05 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -54.27 -42.08 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -87.51 -32.91 19.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -91.16 18.12 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -73.29 -9.79 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.687 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.4 t -105.07 -19.73 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 46.9 mt-30 -118.0 27.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.83 135.36 30.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 19.7 p -107.35 175.41 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.86 -24.24 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.478 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 7.5 p80 -105.16 18.03 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -61.56 -60.74 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' ASP . 65.6 m-85 -68.2 -27.13 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.6 t0 -32.97 -44.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.94 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.62 68.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 48' ' ' TRP . 22.6 tt0 -51.31 -43.56 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.3 t -48.16 -46.76 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -57.99 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 47' ' ' PHE . 65.5 t -51.05 -51.13 22.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -45.3 -45.53 12.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.62 -51.78 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 84' ' ' ASN . 3.6 mt -43.95 -37.98 3.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' GLN . 37.7 mtm -75.65 -69.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 12.4 tt0 -37.95 -28.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 116' ' ' MET . 24.3 mm-40 -41.81 -70.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -117.97 -34.42 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.661 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -50.88 -49.32 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 19.4 t80 -69.46 -66.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.0 p -44.25 -46.45 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -69.87 -50.09 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 64.4 t80 -42.43 -40.73 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.75 -36.66 72.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -101.16 16.69 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.2 p -89.91 141.75 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 128' ' ' ASP . 7.9 t0 -57.47 -46.22 83.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -47.5 -52.49 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.2 t80 -59.45 -49.35 78.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.7 mt -63.7 -26.71 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.77 -59.46 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -43.31 -36.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 135' ' ' SER . 2.1 ptp -89.11 -33.06 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.1 p 47.37 40.36 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.82 -171.54 12.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 161.0 47.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.597 2.198 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.5 m -136.0 171.51 14.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -84.07 146.18 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.41 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -126.52 142.96 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -165.76 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.36 -82.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.412 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -94.45 171.71 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -88.21 170.12 11.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.74 77.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.8 p -94.91 142.68 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 0.0 110.793 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -28.41 25.4 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -55.75 -40.38 72.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -79.99 -41.7 25.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -49.04 -53.06 21.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.32 -36.01 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' TRP . 35.3 mttt -73.34 -50.26 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 50.9 m0 -36.85 -59.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -37.98 -39.87 0.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.545 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 40.0 mt-10 -35.1 -67.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -137.82 150.48 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.0 t80 -62.73 -28.78 70.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -67.21 -48.92 66.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 48.6 mttt -49.6 -40.71 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.82 -55.99 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 19' ' ' PHE . 74.4 mt -49.81 -53.55 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -44.24 -42.91 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 28' ' ' GLY . 24.6 t60 -73.58 143.67 46.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -78.1 -67.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.7 -54.13 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' H ' ' CD2' ' A' ' 25' ' ' HIS . . . -59.94 -43.02 98.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 45' ' ' ILE . 65.0 tp -57.43 -40.99 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -57.3 -61.71 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.52 17.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 28.1 t80 -55.13 -49.16 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.5 m -53.28 -51.67 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -44.83 -60.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' A' ' 129' ' ' ILE . 41.6 t80 -39.49 -41.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 26.7 mt -74.15 -45.35 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.03 -46.55 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -61.43 -37.08 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.55 12.98 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 52.07 34.38 13.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -108.98 -11.6 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -45.24 -38.38 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -39.58 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-20 -74.29 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 29' ' ' LEU . 6.7 tp -65.56 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -50.4 -40.82 50.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t80 -72.62 -41.14 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.405 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 34.3 t90 -51.82 -43.7 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 59.6 mt -68.16 -53.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' ILE . . . -36.04 -41.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' PHE . 75.2 m -59.47 -62.76 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.8 mm-40 -36.26 -51.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.39 -36.31 74.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 19.6 t80 -55.69 -33.71 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 102' ' ' LEU . 6.1 mttm -72.6 -29.58 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -83.02 17.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -71.04 164.45 25.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -126.94 132.93 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.14 167.03 3.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.69 29.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 65' ' ' LEU . 21.3 tp60 -63.78 -59.43 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -46.13 -48.56 17.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 21.7 mt -58.67 -47.5 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -58.85 -42.87 90.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 61' ' ' GLN . 10.0 mp -68.9 -60.09 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -52.91 -45.71 67.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.97 -56.61 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -65.05 -61.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -41.17 -46.34 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -77.37 -36.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -59.23 -60.54 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 52.1 mt-10 -65.04 -3.67 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.609 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 67.6 tttt -88.03 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 4.4 m-85 -110.8 -59.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 74' ' ' PHE . 40.5 mm -32.12 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.513 HE21 ' N ' ' A' ' 79' ' ' ALA . 7.5 pt20 -52.17 170.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -102.02 -30.04 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -74.76 17.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -101.42 155.53 36.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -39.79 6.19 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -96.44 18.01 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.6 pp20? -51.96 113.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 44' ' ' ASN . 33.0 m -92.87 179.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -78.41 102.16 7.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 75' ' ' ILE . 30.7 mt -126.98 141.15 51.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -62.5 141.17 58.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.95 -57.47 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -44.16 -62.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -45.63 -42.84 11.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -65.89 -44.86 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.53 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.1 p -40.44 -48.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.579 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.9 mt -66.4 -44.4 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.3 m -50.62 -40.36 52.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -87.99 -32.52 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -89.78 17.64 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 9.5 tp -78.79 -7.71 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.678 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 5.2 t -105.24 -24.75 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.838 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.1 pm0 -118.17 27.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.838 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.0 Cg_endo -69.74 146.16 59.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.1 p -117.33 179.04 4.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 55' ' ' LYS . 13.4 mt -61.03 -13.17 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -110.57 17.89 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.2 t -66.41 -53.87 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 61.0 m-85 -78.2 9.48 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -60.61 -44.87 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -54.65 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.57 -53.34 7.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -44.58 -45.26 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -57.06 -48.17 79.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -56.81 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.67 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -44.89 -42.38 7.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -74.91 -46.61 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -46.69 -41.77 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 118' ' ' GLN . 72.4 mtm -75.64 -68.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 34.3 tt0 -36.87 -33.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 116' ' ' MET . 11.1 mm-40 -49.27 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.96 -37.25 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.414 ' HB2' ' C ' ' A' ' 116' ' ' MET . 67.6 m -48.15 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 21.9 t80 -58.2 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.1 p -40.75 -43.69 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 126' ' ' LYS . 22.0 mtt180 -68.81 -50.79 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 53.2 t80 -53.49 -28.97 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.34 -22.62 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -117.91 -8.03 10.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 128' ' ' ASP . 90.2 p -57.94 120.88 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 127' ' ' SER . 5.4 m-20 -32.72 -47.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' PHE . 78.9 mt -47.55 -52.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.898 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.9 t80 -60.04 -50.32 74.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.72 -30.06 68.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -76.75 -57.05 4.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.898 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.7 OUTLIER -41.02 -38.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.3 ptp -86.6 -36.2 18.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.7 p 52.87 38.89 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.97 171.84 31.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.66 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 t -108.4 17.88 21.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 p -92.88 158.02 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -139.9 158.97 43.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -42.09 -60.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 -108.33 0.37 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -78.51 162.83 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -104.0 170.26 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.72 121.49 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 m -85.23 150.25 54.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.91 -30.08 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.26 -35.37 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -56.4 -64.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -43.16 -37.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' TRP . 63.6 mttt -74.16 -47.05 38.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.62 ' CH2' ' CA ' ' A' ' 28' ' ' GLY . 36.9 m0 -35.58 -51.06 0.63 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.02 -44.27 13.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLY . 46.6 mt-10 -36.29 -64.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.3 m -139.07 155.53 47.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 20.3 t80 -61.84 -48.69 79.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -44.08 -43.39 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -53.06 -45.42 68.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 32' ' ' PHE . 35.5 tp -57.62 -60.85 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 48' ' ' TRP . 37.3 mt -54.23 -48.59 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -41.54 -44.89 3.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -83.29 158.77 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.676 HH21 HD23 ' A' ' 29' ' ' LEU . 3.6 tpm_? -86.79 -58.06 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -48.05 -54.3 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.62 ' CA ' ' CH2' ' A' ' 15' ' ' TRP . . . -56.77 -48.82 74.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.562 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD23 HH21 ' A' ' 26' ' ' ARG . 40.2 tp -52.15 -52.82 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 mm-40 -50.48 -60.66 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.52 -43.58 11.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HB2' HD21 ' A' ' 22' ' ' LEU . 43.8 t80 -58.11 -49.35 77.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.9 m -50.27 -51.0 48.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -64.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 129' ' ' ILE . 9.8 t80 -37.9 -43.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 30.4 mt -71.03 -47.13 60.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -43.79 -49.02 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.956 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -59.72 -37.08 77.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 25.1 mm-40 -91.15 14.08 15.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER 50.16 31.94 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -116.56 16.58 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.651 ' HG3' HG12 ' A' ' 83' ' ' VAL . 6.6 pt-20 -35.71 -29.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 47.2 m-20 -60.24 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.3 tp -73.59 -36.27 46.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -43.22 -44.38 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 36.8 t80 -70.42 -48.1 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.528 ' CE2' HD13 ' A' ' 23' ' ' LEU . 52.3 t90 -43.97 -46.25 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.0 mt -64.47 -46.89 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.59 -43.56 36.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -50.3 -57.14 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.98 -61.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HA ' ' CD ' ' A' ' 56' ' ' LYS . 26.0 t0 -53.02 -42.41 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 31.9 t80 -56.5 -45.55 80.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HA ' HD22 ' A' ' 102' ' ' LEU . 54.6 mtmt -62.55 -43.87 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 53' ' ' ASP . 20.4 mtpp -40.04 -36.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -52.44 149.26 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -117.99 -31.61 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . -97.15 166.29 23.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.632 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.4 Cg_endo -69.63 -42.09 3.85 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -58.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -55.99 -61.7 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 60' ' ' PRO . 22.6 mt -37.61 -54.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -54.68 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.22 -64.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -46.45 -46.96 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.54 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -58.12 -51.23 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.15 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.96 -39.15 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -58.22 -62.16 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 47.0 mt-10 -68.79 -0.69 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 8.3 tttp -95.04 -64.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 16.0 m-85 -102.62 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 34.7 mm -32.12 -73.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.512 HE21 ' N ' ' A' ' 79' ' ' ALA . 6.1 pt20 -52.09 161.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 79' ' ' ALA . 5.7 m -95.11 -32.65 12.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 76' ' ' GLN . 6.8 p-10 -71.6 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 73' ' ' LYS . . . -105.57 155.81 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.48 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -84.55 17.99 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -52.06 119.73 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.651 HG12 ' HG3' ' A' ' 43' ' ' GLU . 35.0 m -104.51 176.7 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -88.9 109.45 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.4 mt -120.4 168.27 11.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.09 147.69 52.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 8.4 t80 -47.23 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 92' ' ' VAL . 2.6 t-80 -60.26 -61.05 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -40.46 -38.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 26.3 tttt -69.07 -47.35 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 94' ' ' THR . 5.5 tp10 -70.65 -59.37 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' CD2' ' A' ' 88' ' ' HIS . 1.0 OUTLIER -35.45 -47.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 97.7 mt -64.42 -43.61 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLU . 59.9 m -55.49 -41.79 73.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.7 -25.73 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -100.43 17.89 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.451 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -72.96 -2.24 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.662 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.2 p -105.89 -24.26 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 57.2 mt-30 -118.03 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.3 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.9 p -106.05 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.635 HD22 ' HA ' ' A' ' 55' ' ' LYS . 57.7 mt -62.58 -27.93 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -94.21 17.01 13.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 -63.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 106' ' ' ASP . 14.9 m-85 -55.38 -34.98 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 105' ' ' PHE . 10.2 t70 -35.81 -47.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -55.45 33.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.32 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -53.08 -41.55 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -61.1 -55.96 26.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 44' ' ' ASN . 89.8 t -65.17 -51.93 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.411 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 16.7 t80 -39.23 -46.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -70.73 -49.67 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 112' ' ' VAL . 7.3 mt -41.15 -38.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 113' ' ' TYR . 40.8 mtm -76.54 -60.58 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 7.2 tm-20 -49.39 -17.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -64.49 -71.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -117.95 -37.86 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.4 m -48.89 -43.98 39.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -71.24 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.6 p -42.87 -44.44 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 123' ' ' ARG . 7.2 mtp180 -69.15 -44.05 73.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 38.1 t80 -47.53 -37.03 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.59 -35.35 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -96.05 15.66 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.5 p -96.43 139.14 32.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -54.47 -43.29 71.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 35' ' ' PHE . 57.9 mt -47.25 -57.55 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.8 t80 -53.34 -51.65 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt -60.93 -28.95 69.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.51 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.755 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -40.16 -38.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.461 ' HG3' ' N ' ' A' ' 135' ' ' SER . 4.4 ptp -90.95 -35.47 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 134' ' ' MET . 22.9 t 51.98 42.27 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 61.0 159.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.07 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 70.1 m -62.12 -43.16 99.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.8 t -63.14 -59.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -73.33 115.87 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 110.821 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -109.98 127.47 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.52 136.3 13.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p -76.7 115.12 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.8 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -154.75 167.06 31.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 111.59 0.51 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.0 m -58.87 146.55 75.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.84 37.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -89.47 -38.25 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.668 ' CD ' ' HE2' ' A' ' 25' ' ' HIS . 39.3 mt-10 -79.76 -41.17 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -59.43 -48.77 80.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.65 -41.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' GLU . 40.0 mttm -72.44 -43.81 63.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 40.9 m0 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -62.36 -41.61 99.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.533 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' LYS . 32.7 mt-10 -33.51 -53.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -150.58 156.35 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.676 ' CE2' HD11 ' A' ' 23' ' ' LEU . 24.0 t80 -59.75 -47.34 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -51.73 -44.82 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -48.17 -45.24 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.74 -60.79 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.676 HD11 ' CE2' ' A' ' 19' ' ' PHE . 40.1 mt -46.44 -52.75 12.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -39.16 -43.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.668 ' HE2' ' CD ' ' A' ' 11' ' ' GLU . 3.5 t-80 -84.97 139.23 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.96 -59.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.17 -53.15 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.86 80.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 45' ' ' ILE . 50.9 tp -52.64 -47.13 67.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -49.06 -64.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.3 -41.94 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 42.4 t80 -56.49 -46.18 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.6 m -53.59 -50.21 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 3.4 t80 -40.43 -39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 32' ' ' PHE . 42.6 mt -73.74 -43.32 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -49.51 -41.79 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.1 p -63.46 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -94.06 13.26 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 52.33 36.97 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -114.13 -10.01 12.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.6 pp20? -43.19 -42.64 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' HG12 ' A' ' 83' ' ' VAL . 9.0 pm0 -36.72 -26.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m-20 -68.13 -59.66 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 29' ' ' LEU . 10.3 tp -61.1 -32.75 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -53.76 -43.43 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' HG21 ' A' ' 112' ' ' VAL . 37.6 t80 -73.66 -44.04 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -50.71 -48.78 58.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.77 -49.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.72 -42.57 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.98 -55.92 19.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -51.34 -46.86 62.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.96 -33.87 76.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 105' ' ' PHE . 43.2 t80 -59.53 -36.22 75.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -73.08 -41.81 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -39.58 -35.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.9 t -52.63 149.77 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -117.53 -37.28 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.57 30.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.85 10.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 3.8 tp60 -42.1 -70.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 6.1 mm-40 -46.31 -62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLN . 66.2 mt -37.1 -39.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' GLN . 54.7 m-70 -72.08 -51.68 20.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.37 -63.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.535 ' HE2' ' NE2' ' A' ' 62' ' ' GLN . 18.8 mttm -43.83 -54.08 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -46.88 -50.29 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -56.89 -49.78 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -65.12 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CD2' ' A' ' 74' ' ' PHE . 25.3 mt -53.3 -39.54 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -57.72 -65.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 70.0 mt-10 -67.51 -1.26 4.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 69.9 tttt -95.02 -63.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CD2' HG23 ' A' ' 70' ' ' ILE . 5.7 m-85 -103.96 -62.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.578 ' HA ' HD12 ' A' ' 85' ' ' LEU . 33.1 mm -31.99 -70.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.502 HE21 ' N ' ' A' ' 79' ' ' ALA . 6.2 pt20 -57.15 164.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -97.93 -32.49 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.57 17.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.11 156.1 35.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.78 -35.8 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -101.49 18.0 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -51.92 127.06 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG12 ' HG2' ' A' ' 43' ' ' GLU . 31.8 m -109.26 172.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -72.19 109.09 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' ILE . 52.2 mt -134.47 143.51 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -60.11 155.39 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.27 -55.9 28.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -50.75 -63.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -41.85 -44.99 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -65.25 -48.45 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.84 -60.07 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -42.18 -47.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.69 -45.38 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.1 m -51.39 -40.91 60.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -87.3 -34.32 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -89.75 17.96 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.464 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.5 tp -73.87 -5.28 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.692 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.0 t -106.2 -20.33 13.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.84 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.8 tt0 -118.04 27.06 0.12 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.84 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 104' ' ' SER . 19.2 p -104.58 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -102.07 17.95 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 101' ' ' THR . 3.6 t -68.71 -48.81 62.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 54' ' ' PHE . 43.1 m-85 -79.97 15.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.22 -53.54 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.26 -53.73 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.58 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.83 -46.21 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 t -57.01 -40.36 76.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.53 -57.07 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 47' ' ' PHE . 85.4 t -60.95 -50.61 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.2 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' VAL . 7.7 t80 -37.79 -53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -66.98 -48.39 68.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 112' ' ' VAL . 10.0 mt -40.52 -40.02 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -73.16 -67.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 117' ' ' GLU . 6.3 tm-20 -39.15 -35.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -41.05 -71.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 123' ' ' ARG . 4.5 m-20 -118.02 -37.98 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 m -46.53 -56.53 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 63.2 t80 -60.12 -59.36 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.7 p -43.63 -47.29 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -67.39 -51.28 53.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 59.5 t80 -48.59 -39.95 25.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 18.9 mt -56.94 -28.33 62.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -116.15 14.51 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 129' ' ' ILE . 97.6 p -84.15 116.84 23.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.6 m-20 -33.29 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' SER . 87.4 mt -58.61 -57.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.545 ' HA ' HD23 ' A' ' 133' ' ' LEU . 1.7 t80 -55.82 -46.86 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 128' ' ' ASP . 5.5 mt -65.62 -36.19 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.7 m-20 -70.06 -59.86 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -35.62 -40.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 135' ' ' SER . 7.4 ptp -90.62 -37.44 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.484 ' N ' ' HG3' ' A' ' 134' ' ' MET . 10.1 t 52.2 46.83 25.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 138' ' ' SER . . . -74.8 155.22 47.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 14.22 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 136' ' ' GLY . 54.5 m -60.72 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.6 m -40.45 -48.99 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -96.22 156.14 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.366 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -138.92 142.38 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.45 79.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -61.8 -44.08 97.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -87.67 142.87 27.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 133' ' ' LEU . . . -53.16 122.74 22.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.8 p -105.69 147.83 35.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -7.6 21.45 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.737 2.292 . . . . 0.0 112.385 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 15.8 pt-20 -89.75 -35.44 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.46 -56.52 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.568 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -48.15 -54.71 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 6.4 p -42.85 -38.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -73.74 -49.19 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 48.9 m0 -42.87 -46.01 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.26 -35.51 20.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -40.88 -58.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.28 165.33 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 23' ' ' LEU . 30.9 t80 -60.33 -43.06 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' LYS . 2.1 t70 -51.68 -64.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -34.01 -56.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 tp -48.08 -54.98 11.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 19' ' ' PHE . 55.4 mt -56.47 -50.08 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -39.96 -41.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.99 141.84 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.34 -55.4 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -48.65 -48.27 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.56 97.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.4 tp -66.04 -51.01 62.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -54.37 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.86 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 46.2 t80 -55.91 -53.08 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.9 m -48.97 -44.27 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 34' ' ' ARG . 31.1 mtt-85 -52.76 -47.39 67.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -51.43 -44.79 62.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 15.3 mt -68.82 -42.69 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -42.98 -47.59 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.5 p -56.62 -32.83 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' LEU . 61.7 mm-40 -101.54 13.53 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 52.14 33.36 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.1 t -116.13 12.57 15.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -58.31 -36.22 73.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.53 -31.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' HG11 ' A' ' 112' ' ' VAL . 5.9 m-20 -54.94 -41.29 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.6 tp -85.92 -25.66 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.22 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 39.2 t80 -76.33 -45.25 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 52.5 t90 -51.15 -44.47 61.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.1 mt -65.17 -44.4 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -49.42 -43.27 44.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.1 m -56.61 -56.55 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 59.9 mm-40 -47.44 -53.54 13.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 17.1 t0 -69.96 -26.61 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.4 t80 -65.7 -49.3 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 9.2 ptpt -60.73 -43.28 98.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 26.7 mtmt -39.02 -31.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.4 t -52.88 140.65 23.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -103.15 -38.59 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.75 164.31 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.2 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.697 HE22 HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -37.34 -66.17 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -45.83 -52.83 10.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.0 mt -47.88 -49.44 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.697 HD21 HE22 ' A' ' 61' ' ' GLN . 25.0 mt -51.4 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -55.77 -51.29 67.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.42 -47.2 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -67.48 -54.45 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -57.74 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.524 HG23 ' CD1' ' A' ' 74' ' ' PHE . 61.0 mt -59.32 -37.38 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 10.4 t80 -53.21 -69.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 39.5 mt-10 -64.94 -1.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.797 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 9.4 tttp -92.14 -50.16 5.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 11.7 m-85 -118.0 -48.23 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 71' ' ' TYR . 31.0 mm -49.07 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.546 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 5.6 pt20 -55.51 147.72 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 79' ' ' ALA . 8.7 m -76.35 -32.46 58.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.48 17.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.797 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -97.82 146.27 31.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -107.45 17.92 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 2.9 pp20? -51.53 113.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG23 ' HG ' ' A' ' 85' ' ' LEU . 17.8 m -94.52 176.3 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 83' ' ' VAL . 63.0 mt -126.19 143.65 51.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.58 145.61 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -50.89 -52.07 45.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 88' ' ' HIS . 2.7 t60 -51.87 -55.69 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.5 m -51.57 -42.7 62.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -65.05 -49.45 70.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.62 -58.39 8.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 83.8 t -44.49 -48.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.45 -39.66 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -53.4 -43.99 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -85.24 -31.78 22.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -92.35 17.8 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' A' ' 71' ' ' TYR . 11.1 tp -75.36 -10.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.701 HG23 ' HG2' ' A' ' 99' ' ' GLN . 10.1 t -106.52 -18.76 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.841 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.8 mm100 -118.18 26.7 0.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.841 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.0 Cg_endo -69.85 125.55 12.23 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.609 2.206 . . . . 0.0 112.348 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.491 ' N ' ' HB3' ' A' ' 104' ' ' SER . 22.8 p -93.37 179.15 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 63' ' ' ILE . 42.6 mt -56.81 -19.52 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 103' ' ' HIS . 5.0 p80 -114.39 18.0 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 101' ' ' THR . 87.4 p -55.77 -33.56 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.84 17.8 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -62.12 -40.04 94.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.46 -53.65 7.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.3 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -54.97 -44.67 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -49.48 -51.85 33.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -48.28 -59.23 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.709 HG12 ' CE ' ' A' ' 116' ' ' MET . 54.5 t -60.71 -59.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.452 ' CE2' ' OE1' ' A' ' 117' ' ' GLU . 73.4 t80 -40.12 -52.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -66.64 -55.69 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -41.28 -49.56 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.709 ' CE ' HG12 ' A' ' 112' ' ' VAL . 50.1 mtm -74.62 -57.97 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 22.6 tt0 -43.85 -26.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -69.9 -69.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 120' ' ' SER . 21.3 m-20 -98.03 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 119' ' ' ASP . 64.7 m -32.3 -59.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.535 ' HB2' ' CD1' ' A' ' 19' ' ' PHE . 12.4 t80 -51.36 -64.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.5 p -51.89 -64.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -44.17 -53.63 6.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 27.0 t80 -39.94 -59.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.83 -36.15 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.88 -28.24 58.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' PHE . 33.4 p -62.2 127.99 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.737 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -45.8 -37.66 6.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.745 ' O ' HD12 ' A' ' 133' ' ' LEU . 75.9 mt -45.61 -50.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -68.52 -51.53 42.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.0 mt -51.67 -33.68 34.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 133' ' ' LEU . 6.8 t70 -61.07 -58.71 7.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 129' ' ' ILE . 4.2 mp -37.96 -52.17 1.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 9.5 ptp -76.88 -34.0 57.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.5 t -82.12 16.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.84 -171.59 20.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 109.0 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.393 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 86.0 p -80.58 114.67 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 t -55.75 114.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -81.12 -47.21 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -95.54 157.64 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.77 159.69 13.54 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -112.01 16.54 20.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -126.06 134.13 51.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.57 100.15 0.65 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -117.09 142.6 30.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 110.797 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -32.39 18.84 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.381 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -45.18 -31.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' NE2' ' A' ' 25' ' ' HIS . 14.4 mm-40 -82.89 -39.92 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.09 -55.28 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.19 -35.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.83 -44.22 20.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CZ3' HD22 ' A' ' 133' ' ' LEU . 41.6 m0 -45.41 -32.3 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.83 15.58 6.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.37 -53.06 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.6 p -158.41 154.28 26.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -56.8 -42.57 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -59.65 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -40.19 -43.7 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 32' ' ' PHE . 10.1 tp -61.03 -47.78 84.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD13 ' CZ2' ' A' ' 48' ' ' TRP . 44.2 mt -67.4 -34.27 76.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -64.75 -41.69 95.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' NE2' ' OE2' ' A' ' 11' ' ' GLU . 10.9 t-80 -89.44 115.08 26.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -41.6 -65.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -41.66 -46.85 3.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.74 -43.42 99.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.99 -47.61 73.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.19 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -42.53 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 22' ' ' LEU . 53.7 t80 -55.35 -54.39 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.401 ' HA ' HD12 ' A' ' 36' ' ' LEU . 88.5 m -48.58 -50.2 33.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -42.45 -62.32 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.522 ' HB2' HD12 ' A' ' 129' ' ' ILE . 19.6 t80 -45.33 -37.3 4.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD11 ' CE2' ' A' ' 32' ' ' PHE . 24.8 mt -75.76 -40.92 54.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -51.95 -42.67 63.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 p -61.96 -37.58 85.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.597 ' C ' ' CG ' ' A' ' 40' ' ' PHE . 63.6 mm-40 -92.7 13.76 19.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CG ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER 50.41 31.96 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -107.86 -11.5 15.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.4 pp20? -41.2 -44.2 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.6 pt-20 -33.52 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLU . 77.8 m-20 -60.9 -58.24 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 42' ' ' GLU . 10.7 tp -62.42 -29.15 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.89 -46.07 82.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.471 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 64.8 t80 -66.53 -37.51 85.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.447 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 23.3 t90 -59.48 -38.18 80.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.3 mt -79.46 -48.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.85 -42.4 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.1 m -55.49 -54.36 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 30.2 mm-40 -47.53 -55.93 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.49 -38.35 90.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 55' ' ' LYS . 1.4 t80 -58.4 -57.05 14.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 54' ' ' PHE . 16.4 ptpt -61.83 -33.62 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -65.48 -17.19 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -55.32 167.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -132.09 116.96 17.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.33 164.96 24.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.1 Cg_endo -69.82 -51.02 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.505 ' OE1' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -37.1 -65.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' HG3' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp60 -49.46 -56.7 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.533 HG12 HD23 ' A' ' 102' ' ' LEU . 34.8 mt -47.91 -47.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -63.71 -57.14 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.505 HD22 ' OE1' ' A' ' 61' ' ' GLN . 11.2 mp -55.65 -56.56 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' HE2' ' HG3' ' A' ' 62' ' ' GLN . 6.9 mmtm -52.2 -49.52 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.55 -53.71 42.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -56.16 -57.1 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.2 mt -50.7 -45.07 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.95 -62.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -63.85 -4.69 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 22.1 tttt -89.13 -69.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -98.5 -62.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.542 HD13 ' CD1' ' A' ' 85' ' ' LEU . 49.9 mm -33.67 -67.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.2 pt20 -52.0 138.26 25.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.17 160.03 25.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 63.76 32.06 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.992 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -106.52 172.88 3.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.992 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.9 Cg_endo -69.78 -31.77 19.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.6 mmtp -118.05 17.89 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' A' ' 79' ' ' ALA . 2.7 pp20? -52.07 132.13 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' HG ' ' A' ' 85' ' ' LEU . 34.7 m -119.8 173.25 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.596 ' O ' HD11 ' A' ' 115' ' ' LEU . 29.3 m-20 -83.03 103.01 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 83' ' ' VAL . 89.0 mt -123.1 165.71 16.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.4 156.73 24.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -59.25 -59.28 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.75 -65.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -48.24 -52.3 21.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -52.0 -45.91 64.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -66.28 -59.2 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -40.79 -43.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.74 -46.04 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -51.48 -41.43 60.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -88.9 -32.01 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -91.27 18.02 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.49 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -76.45 -8.98 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.196 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.697 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 7.5 t -105.02 -21.87 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.844 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 12.6 pt20 -117.96 27.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.661 0.743 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.7 Cg_endo -69.76 141.48 45.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.532 ' OG1' ' CD2' ' A' ' 103' ' ' HIS . 42.5 p -113.52 178.85 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.533 HD23 HG12 ' A' ' 63' ' ' ILE . 90.7 mt -57.04 -19.56 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CD2' ' OG1' ' A' ' 101' ' ' THR . 19.8 p80 -108.94 18.01 21.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -57.59 -54.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -79.43 14.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.1 -54.09 50.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.53 -54.36 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.7 -55.71 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -44.7 -53.09 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.9 t -49.4 -45.69 46.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.31 -61.08 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG12 ' SD ' ' A' ' 116' ' ' MET . 48.7 t -54.8 -53.99 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.8 t80 -34.66 -43.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' LEU . 21.9 mt-30 -72.98 -49.54 28.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 84' ' ' ASN . 35.0 mt -35.02 -44.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.667 ' SD ' HG12 ' A' ' 112' ' ' VAL . 3.5 mpp? -75.4 -68.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -41.0 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 116' ' ' MET . 61.1 mm-40 -58.55 -69.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.03 -37.58 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 75.5 m -48.88 -54.16 16.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.641 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 32.6 t80 -56.01 -62.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.6 p -49.93 -37.79 33.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -70.61 -42.67 70.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.68 -34.82 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 80.6 mt -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -97.34 17.82 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.7 p -87.62 145.76 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -49.45 -54.09 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 35' ' ' PHE . 77.2 mt -43.57 -58.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.591 ' HA ' HD13 ' A' ' 133' ' ' LEU . 2.4 t80 -59.54 -48.55 81.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt -52.9 -38.7 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 133' ' ' LEU . 25.2 t70 -55.46 -51.85 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 130' ' ' TYR . 2.7 mp -37.2 -49.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 135' ' ' SER . 11.9 ptp -82.32 -36.97 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 134' ' ' MET . 10.2 p 52.05 41.68 30.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 122.89 160.01 10.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 93.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.741 2.294 . . . . 0.0 112.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t 66.26 41.31 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 140' ' ' GLY . 6.7 t 58.64 42.65 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 139' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -88.58 118.79 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -104.29 17.76 23.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.89 68.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.553 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -163.78 166.97 21.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -127.61 132.72 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.77 128.43 14.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -78.95 141.4 58.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' O ' HG12 ' A' ' 13' ' ' VAL . 54.5 Cg_endo -69.73 -26.86 27.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.379 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.59 -39.22 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.85 -51.77 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.96 -54.23 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 9' ' ' PRO . 6.3 p -50.89 -30.87 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -82.26 -42.74 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 22' ' ' LEU . 43.5 m0 -42.49 -42.6 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.57 -37.71 61.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.9 mm-40 -34.51 -59.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.2 m -151.54 152.58 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.96 -46.75 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -55.1 -49.43 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 6.7 mtpt -42.44 -44.85 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 15' ' ' TRP . 5.9 tp -60.57 -59.81 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 38.7 mt -43.81 -51.65 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.977 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.8 t -37.33 -40.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -90.9 128.92 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -55.5 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.39 -51.63 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' CH2' ' A' ' 15' ' ' TRP . . . -57.99 -51.14 60.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.74 -45.31 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.08 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.53 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 36' ' ' LEU . 59.3 t80 -43.03 -46.0 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 33.4 m -58.69 -45.29 89.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -52.29 -59.77 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -47.16 -40.07 15.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.2 mt -70.67 -43.6 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -44.67 -49.96 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.1 p -54.28 -38.13 65.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.6 11.0 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 52.49 36.1 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -117.49 -0.95 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -45.24 -41.56 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -41.76 -33.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' O ' HG11 ' A' ' 112' ' ' VAL . 56.6 m-20 -53.06 -42.97 66.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.2 tp -85.06 -26.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.74 -38.26 66.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 48.4 t80 -74.82 -45.47 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -48.22 -51.73 24.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.4 mt -59.23 -50.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.09 40.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' SG ' ' CE2' ' A' ' 47' ' ' PHE . 54.5 m -48.39 -42.44 31.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.05 -57.08 9.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 66' ' ' LYS . 44.8 t0 -55.63 -33.39 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.639 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 4.0 t80 -58.87 -37.61 76.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LYS . 35.7 mtmt -65.15 -43.88 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 30.1 mtpt -34.57 -36.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 58.1 p -52.44 148.1 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 5.5 ptmm? -117.98 -36.67 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -97.0 167.45 24.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -37.57 9.1 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.86 ' O ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -43.19 -63.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.3 tp60 -55.17 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.639 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 55.3 mt -34.55 -67.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 98' ' ' THR . 4.1 m-70 -42.08 -46.63 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 61' ' ' GLN . 11.1 mp -67.98 -65.1 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 53' ' ' ASP . 46.9 mttt -40.98 -42.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -51.87 60.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -60.4 -52.4 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.65 -57.17 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.94 -28.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 75' ' ' ILE . 16.9 t80 -65.93 -68.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 30.7 mt-10 -61.36 -3.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 20.4 tttp -93.83 -51.84 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 46.4 m-85 -115.48 -52.53 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 71' ' ' TYR . 27.9 mm -42.77 -69.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 7.4 pt20 -56.09 157.8 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -90.53 -25.64 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 12.1 t0 -78.44 17.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -98.81 153.24 37.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.0 24.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -110.18 17.9 20.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.87 125.83 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -107.82 178.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -89.37 102.47 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.62 ' CD1' HD13 ' A' ' 75' ' ' ILE . 17.4 mt -109.94 143.15 40.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -51.98 144.77 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -49.66 -57.22 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.413 ' CD2' HG21 ' A' ' 92' ' ' VAL . 41.1 t60 -57.16 -64.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.9 m -42.63 -54.22 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' ILE . 20.6 tttt -50.03 -45.41 52.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.6 tp10 -69.64 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' GLU . 95.5 t -35.66 -47.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ILE . 94.2 mt -61.64 -47.72 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -50.1 -43.45 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -82.12 -31.9 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 m -96.16 17.75 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' ILE . 11.0 tp -73.58 -6.03 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.699 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -107.18 -19.33 13.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.834 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 1.8 tp60 -118.05 26.83 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.834 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.5 Cg_endo -69.73 126.5 13.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.2 p -102.35 177.59 4.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.4 -16.24 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -113.66 17.91 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -49.49 66.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -78.18 9.55 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.85 -41.96 96.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.66 -54.43 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.37 -50.95 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -46.71 -43.29 17.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.3 t -58.24 -47.56 83.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 111' ' ' ARG . 7.6 tpt85 -50.21 -59.56 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 47' ' ' PHE . 94.9 t -56.27 -51.01 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -45.73 -53.0 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.46 -40.77 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD23 ' OE1' ' A' ' 118' ' ' GLN . 6.9 mt -60.97 -24.48 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 120' ' ' SER . 72.1 mtm -95.2 -14.83 23.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tm-20 -94.04 -16.91 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.602 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -74.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.96 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.02 -37.64 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 116' ' ' MET . 58.3 m -48.17 -35.83 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -74.49 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.7 p -51.11 -39.86 57.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -73.55 -41.61 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 130' ' ' TYR . 10.2 t80 -49.47 -43.02 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 130' ' ' TYR . 6.6 mt -65.42 -36.25 83.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -74.43 -29.9 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.2 p -58.83 131.87 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -42.19 -39.42 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.2 mt -44.88 -55.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CE2' HD23 ' A' ' 125' ' ' LEU . 10.2 t80 -67.73 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 134' ' ' MET . 51.1 mt -41.6 -35.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 133' ' ' LEU . 52.7 t0 -58.21 -57.66 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.417 HD22 ' CZ3' ' A' ' 15' ' ' TRP . 1.8 mp -38.11 -48.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 12.3 ptp -77.6 -38.27 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 134' ' ' MET . 11.4 t 53.42 40.69 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.29 145.7 30.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 165.82 29.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.1 t -112.69 133.6 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 70.1 m -71.74 -50.13 32.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -72.29 131.13 42.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -91.69 -43.93 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.68 134.43 12.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 m -125.78 159.52 32.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -53.84 101.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.86 102.82 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.539 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -153.48 152.52 27.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -3.96 13.04 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.749 2.299 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -86.35 -36.12 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 11.7 pt-20 -85.76 -49.36 8.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB1' ' CE ' ' A' ' 134' ' ' MET . . . -56.1 -41.11 74.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 14' ' ' LYS . 7.2 p -60.27 -41.86 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 13' ' ' VAL . 28.3 mttm -74.25 -37.91 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 11' ' ' GLU . 45.0 m0 -41.39 -48.89 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -59.17 -33.34 74.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.2 mm-40 -35.65 -58.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -150.94 161.55 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.5 t80 -60.57 -43.03 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.43 -44.16 84.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.41 -49.23 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.16 -52.24 59.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 39.3 mt -59.97 -47.99 83.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 5.7 p -37.72 -40.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -86.16 149.08 25.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -73.49 -60.32 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -49.34 -55.61 12.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -50.77 -41.17 43.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.553 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.666 HD21 HG12 ' A' ' 49' ' ' ILE . 56.8 tp -63.4 -53.46 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -51.39 -62.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' CB ' HD22 ' A' ' 133' ' ' LEU . . . -44.82 -47.0 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 36' ' ' LEU . 57.7 t80 -51.77 -46.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.44 HG22 ' CG ' ' A' ' 37' ' ' LYS . 97.1 m -52.8 -56.41 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -38.44 -51.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -47.26 -51.63 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 32' ' ' PHE . 18.0 mt -67.35 -43.09 82.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 33' ' ' THR . 18.9 mtpt -44.41 -51.04 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -54.13 -38.64 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.38 12.78 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 52.81 34.86 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -117.38 14.31 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.7 pm0 -63.88 -38.46 91.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.41 -37.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.542 ' O ' HG11 ' A' ' 112' ' ' VAL . 2.1 m-20 -57.08 -58.34 8.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.3 tp -67.74 -37.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -46.42 -41.34 13.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 73.8 t80 -68.3 -38.73 81.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 48' ' ' TRP . 13.8 t90 -58.04 -39.32 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.666 HG12 HD21 ' A' ' 29' ' ' LEU . 30.4 mt -77.4 -37.5 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 -27.31 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.8 m -78.59 -67.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 1.8 pp20? -42.36 -33.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -82.23 -40.86 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -52.36 -42.35 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' O ' HD22 ' A' ' 102' ' ' LEU . 39.9 mtmt -56.41 -46.28 80.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' LYS . 26.7 mtpp -37.83 -32.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' LYS . 36.7 m -53.41 133.41 40.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -97.66 -56.66 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.38 164.61 54.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.533 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' OE1' HD13 ' A' ' 65' ' ' LEU . 1.1 tm0? -38.22 -68.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.08 -48.47 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 54' ' ' PHE . 68.6 mt -58.45 -49.92 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -55.06 -52.19 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD13 ' OE1' ' A' ' 61' ' ' GLN . 10.2 mp -62.24 -62.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -47.16 -52.04 16.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.65 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -55.5 -55.19 34.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.78 -43.83 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HD1' HG21 ' A' ' 75' ' ' ILE . 2.4 t80 -57.38 -61.19 2.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 29.6 mt-10 -62.74 -5.64 2.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 10.9 tttt -87.32 -69.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -98.09 -62.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' PHE . 44.1 mm -33.51 -69.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.603 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.4 pt20 -52.39 136.08 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.4 m -75.1 174.2 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.707 ' H ' HG22 ' A' ' 77' ' ' THR . 2.6 t70 48.28 31.99 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.9 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.43 170.36 6.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.9 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.3 Cg_endo -69.67 -30.6 22.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 36.3 mmtt -117.98 17.86 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 2.8 pp20? -52.44 122.08 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -110.31 177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -86.97 112.88 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.8 mt -129.03 166.98 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -78.94 147.78 32.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.2 t80 -51.09 -62.0 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.65 ' O ' HG13 ' A' ' 92' ' ' VAL . 6.4 t-160 -44.74 -69.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 92' ' ' VAL . 43.1 m -45.55 -59.94 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 75' ' ' ILE . 12.9 tttt -46.19 -20.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -97.41 -43.91 7.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 88' ' ' HIS . 1.5 m -55.45 -45.95 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 92' ' ' VAL . 96.4 mt -64.43 -46.26 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.8 m -49.97 -40.01 42.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -85.28 -35.16 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.8 t -87.74 17.99 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -71.9 -9.09 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.664 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.9 t -105.12 -21.82 13.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 8.4 pt20 -118.12 29.52 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.71 127.31 14.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.5 p -106.67 178.25 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 55' ' ' LYS . 87.2 mt -56.21 -24.12 39.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -102.12 17.85 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.1 t -68.34 -56.71 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -79.27 13.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.8 -47.15 79.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.45 -55.57 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.56 -47.96 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -47.46 -45.0 25.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.9 t -61.04 -49.88 75.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -40.45 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 44' ' ' ASN . 92.5 t -56.99 -58.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 65.1 t80 -37.49 -43.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -72.47 -56.52 5.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.56 -40.34 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 118' ' ' GLN . 63.3 mtm -74.1 -66.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 5.8 tm-20 -37.0 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' MET . 72.5 mt-30 -49.03 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -117.92 -35.73 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.9 m -50.53 -52.0 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 18.6 t80 -60.54 -68.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.1 p -45.08 -40.29 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -65.6 -51.16 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 47.1 t80 -49.51 -36.86 24.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 79.8 mt -61.75 -30.15 70.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -101.01 16.55 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.0 p -95.32 144.32 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.84 -45.81 93.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -46.88 -42.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.527 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.4 t80 -68.17 -58.66 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.43 -22.28 61.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -83.62 -58.16 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -40.42 -33.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.513 ' CE ' ' HB1' ' A' ' 12' ' ' ALA . 2.8 ptp -92.83 -34.71 13.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 134' ' ' MET . 8.5 t 52.57 44.35 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -81.88 -169.39 42.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.44 5.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.3 t 61.24 42.46 12.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.4 p -131.81 117.93 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -143.7 140.41 30.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -88.78 112.14 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 68.35 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 p -60.66 145.33 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -111.86 145.1 40.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.9 132.63 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t -148.36 139.68 13.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.726 0.774 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -9.99 27.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 13' ' ' VAL . 6.3 tp10 -74.82 -41.26 60.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.0 -37.09 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -55.98 -43.68 77.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 10' ' ' GLU . 5.8 p -61.49 -31.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -80.72 -48.09 13.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 47.4 m0 -42.06 -46.32 4.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.21 -37.16 7.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.1 mt-10 -37.39 -58.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.5 m -158.89 156.65 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 23' ' ' LEU . 22.7 t80 -52.07 -47.69 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' LYS . 38.7 t0 -44.08 -66.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -34.22 -55.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 32' ' ' PHE . 14.5 tp -48.13 -55.41 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 19' ' ' PHE . 35.5 mt -60.13 -45.11 94.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 t -46.26 -43.06 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -81.51 155.51 25.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -76.43 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.35 -58.09 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.35 -38.87 9.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.6 -54.6 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -50.59 -48.11 57.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' CB ' HD11 ' A' ' 133' ' ' LEU . . . -61.27 -42.89 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' HB2' HD21 ' A' ' 22' ' ' LEU . 28.9 t80 -57.87 -55.87 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.9 m -48.73 -44.73 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.08 -61.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 129' ' ' ILE . 28.8 t80 -39.86 -44.88 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' ' C ' ' A' ' 41' ' ' SER . 51.5 mt -69.18 -48.89 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -42.09 -46.81 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -59.65 -39.35 84.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -93.06 14.37 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 52.05 33.28 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 1.7 m -114.92 15.18 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.535 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.6 pm0 -59.22 -42.55 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 7.0 pt-20 -37.76 -39.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.6 -54.47 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.1 tp -75.45 -34.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.056 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 23.2 mt-10 -46.69 -45.18 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 62.8 t80 -64.69 -42.76 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.492 ' CE2' HD13 ' A' ' 23' ' ' LEU . 31.2 t90 -51.26 -47.21 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.39 -35.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.05 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.562 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 86.3 m -71.7 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.4 -33.67 4.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -79.64 -40.1 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 2.8 t80 -52.15 -39.12 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' LYS . 36.2 mtmt -59.95 -47.21 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' LYS . 45.5 mttm -33.68 -42.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -52.32 147.49 7.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -118.03 -35.8 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.49 165.97 47.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -42.82 3.04 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -47.28 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -39.14 -52.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.701 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 54.3 mt -53.24 -49.43 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.15 -61.09 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 mp -49.25 -50.74 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -64.16 -43.4 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.89 64.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -63.59 -49.24 74.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.32 -62.17 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.5 mt -51.63 -36.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 75' ' ' ILE . 15.5 t80 -55.82 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 41.8 mt-10 -63.46 -0.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 34.9 tttt -90.26 -58.51 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 4.8 m-85 -118.05 -47.33 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.591 HG21 ' CD2' ' A' ' 71' ' ' TYR . 25.8 mm -40.46 -69.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.593 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 10.8 pt20 -57.39 173.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.528 ' C ' ' H ' ' A' ' 79' ' ' ALA . 20.5 m -101.85 -38.61 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.449 ' C ' HE21 ' A' ' 76' ' ' GLN . 31.2 t0 -70.48 17.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -95.97 154.55 38.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.42 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.612 2.208 . . . . 0.0 112.385 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 8.7 mmtp -110.92 17.95 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -51.88 127.05 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.402 HG23 ' HG ' ' A' ' 85' ' ' LEU . 23.1 m -111.08 175.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -79.87 102.22 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HG ' HG23 ' A' ' 83' ' ' VAL . 17.8 mt -122.77 139.12 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.01 145.37 50.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -50.45 -63.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.1 t60 -41.8 -56.51 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.0 m -50.36 -46.43 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -64.02 -56.67 13.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.8 -46.89 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 88' ' ' HIS . 89.6 t -55.73 -45.34 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ILE . 97.3 mt -68.35 -41.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -54.66 -43.83 72.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -85.4 -25.13 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.7 t -100.46 17.33 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -75.81 -10.39 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.616 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 23.1 p -102.4 -21.98 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.773 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 13.1 pt20 -118.02 32.62 0.18 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.773 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.2 Cg_endo -69.72 148.41 65.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.9 p -132.02 177.41 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.13 -27.04 66.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.13 17.73 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.9 t -95.2 -68.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.4 m-85 -44.56 -37.68 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' PHE . 2.3 m-20 -35.91 -41.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.34 -60.38 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.09 56.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -45.56 -48.59 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.6 t -50.44 -40.43 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -57.62 -59.85 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 47' ' ' PHE . 60.9 t -59.18 -48.54 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.456 ' HA ' ' CE ' ' A' ' 116' ' ' MET . 23.3 t80 -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' LEU . 37.6 mm-40 -71.67 -56.9 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 114' ' ' GLN . 7.5 mt -33.84 -44.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 112' ' ' VAL . 36.7 mtm -78.35 -56.95 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 42.6 tt0 -45.11 -20.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' MET . 13.7 mm100 -76.98 -69.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' SER . 86.5 m-20 -98.02 -64.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' ASP . 58.8 m -32.02 -51.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 29.3 t80 -62.0 -68.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -66.9 -35.83 80.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE2' ' CD1' ' A' ' 130' ' ' TYR . 32.6 t80 -60.15 -38.03 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.35 -40.76 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -78.9 -17.43 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 p -67.24 137.3 56.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 131' ' ' LEU . 1.4 t70 -51.29 -48.14 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 35' ' ' PHE . 85.9 mt -38.39 -47.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.803 ' HA ' HD12 ' A' ' 133' ' ' LEU . 55.2 t80 -75.74 -55.3 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 128' ' ' ASP . 38.3 mt -39.3 -38.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.91 -46.55 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 130' ' ' TYR . 8.5 mt -44.18 -49.42 9.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.9 ptp -84.48 -35.44 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 134' ' ' MET . 4.3 t -81.13 16.09 1.67 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.92 -153.27 6.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.405 ' HB2' ' C ' ' A' ' 140' ' ' GLY . 54.3 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 16.8 m -55.94 -44.34 78.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.4 t -82.98 -55.01 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' C ' ' HB2' ' A' ' 137' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -101.29 123.04 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.394 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -124.38 110.76 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.11 -72.61 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -62.09 -47.94 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t 66.63 42.16 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.91 -164.4 25.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.437 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -126.34 123.79 24.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.19 32.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.58 -39.32 52.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.66 -34.58 46.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -62.21 -52.67 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.08 -33.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -80.1 -39.83 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.532 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 29.5 m0 -38.24 -54.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -40.24 -40.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' GLY . 24.0 mt-10 -34.46 -56.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -153.39 162.97 40.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CE2' HD11 ' A' ' 23' ' ' LEU . 25.4 t80 -62.21 -39.58 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -55.21 -49.77 71.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -46.34 -49.92 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 32' ' ' PHE . 20.1 tp -54.46 -61.32 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 ' CE2' ' A' ' 19' ' ' PHE . 34.2 mt -51.18 -51.23 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' LEU . 43.0 t -34.3 -44.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -89.1 146.76 24.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -63.88 -62.17 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' OD2' HD13 ' A' ' 133' ' ' LEU . 17.1 t70 -43.85 -59.76 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.8 -42.95 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 23' ' ' LEU . 58.3 tp -69.33 -43.68 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.316 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.56 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.61 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CE2' HD11 ' A' ' 36' ' ' LEU . 46.8 t80 -55.37 -60.51 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 45' ' ' ILE . 54.2 m -39.48 -46.94 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -53.02 -50.46 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 129' ' ' ILE . 35.2 t80 -48.19 -40.98 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 32' ' ' PHE . 40.6 mt -71.0 -56.08 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG2' ' CD ' ' A' ' 42' ' ' GLU . 45.0 mttt -38.34 -48.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -56.28 -39.27 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LEU . 72.4 mm-40 -93.52 14.2 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 54.03 32.08 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 m -118.03 17.84 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' ASN . 2.7 pt-20 -70.52 -35.26 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 42' ' ' GLU . 1.8 pm0 -40.95 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HG11 ' A' ' 112' ' ' VAL . 94.5 m-20 -68.79 -57.19 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.431 HG21 HG23 ' A' ' 33' ' ' THR . 10.4 tp -70.43 -31.57 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -49.81 -42.66 47.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' HD2' HG21 ' A' ' 112' ' ' VAL . 60.9 t80 -75.54 -41.12 55.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.52 -41.93 66.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' CYS . 64.1 mt -65.45 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.12 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' ILE . 90.4 m -72.09 -68.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' C ' ' OE1' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -44.65 -30.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 10.6 t70 -91.31 -25.49 19.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -59.68 -33.93 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' O ' HD22 ' A' ' 102' ' ' LEU . 5.0 ptpp? -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 mtpt -34.96 -36.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 11.9 t -51.94 149.42 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -111.71 -34.78 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.86 169.23 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -42.76 3.13 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.587 2.192 . . . . 0.0 112.367 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.641 ' OE1' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -41.1 -68.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 3.9 tp-100 -49.21 -51.55 32.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.49 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.3 mt -49.4 -42.55 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.04 -50.29 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD21 ' OE1' ' A' ' 61' ' ' GLN . 12.7 mt -56.58 -62.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 60.6 mttt -49.2 -43.74 42.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.7 -53.38 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -64.2 -50.65 67.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 -58.96 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.0 mt -59.31 -39.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 5.4 t80 -51.64 -69.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 27.3 mt-10 -62.3 -0.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.928 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 24.3 tttt -89.66 -57.84 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 1.8 m-85 -118.02 -39.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 45.9 mm -54.18 -69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 6.0 pt20 -51.91 148.13 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HG3' ' A' ' 82' ' ' GLU . 22.7 m -73.77 -37.27 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 25.1 t70 -74.59 17.93 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -88.52 142.8 31.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.262 . . . . 0.0 112.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -108.55 17.93 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 1.6 tm-20 -47.16 118.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG23 ' HG ' ' A' ' 85' ' ' LEU . 32.7 m -100.33 176.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -76.99 101.98 6.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 83' ' ' VAL . 78.1 mt -130.93 143.13 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.92 149.01 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -44.68 -59.28 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -40.22 -59.92 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.1 m -48.73 -51.36 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.83 -34.09 75.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' THR . 1.8 tp10 -74.46 -68.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -34.48 -47.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 84.3 mt -63.11 -43.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' GLU . 99.6 m -51.07 -43.81 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -87.05 -28.3 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -94.77 17.46 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.465 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.1 tp -79.78 -12.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.69 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.9 t -106.17 -22.2 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.837 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.4 pt20 -118.03 26.82 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.709 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.837 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.4 Cg_endo -69.74 136.95 34.35 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.619 ' HG1' ' CE1' ' A' ' 103' ' ' HIS . 60.9 p -107.68 179.29 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' LYS . 33.5 mt -57.22 -18.78 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.619 ' CE1' ' HG1' ' A' ' 101' ' ' THR . 6.3 p80 -111.5 17.76 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -61.5 -54.43 43.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -79.12 10.74 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.66 -46.11 91.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.6 -59.31 3.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.62 12.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -52.94 -43.16 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.4 t -60.18 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -50.9 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.617 HG11 ' O ' ' A' ' 44' ' ' ASN . 90.0 t -71.68 -40.6 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -46.26 -49.82 16.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -70.37 -38.52 74.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.554 HD23 ' OE1' ' A' ' 118' ' ' GLN . 7.8 mt -58.12 -25.56 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.423 ' CE ' HD12 ' A' ' 45' ' ' ILE . 63.7 mtm -96.28 -17.82 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -93.36 -7.23 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.554 ' OE1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -69.46 -71.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.01 -37.92 3.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.7 m -48.27 -44.74 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.14 -52.66 38.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.0 p -54.61 -38.68 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -72.84 -43.79 62.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 38.4 t80 -53.33 -39.0 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.4 -33.89 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -101.02 16.48 25.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 p -89.98 162.44 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -78.99 -37.88 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 35' ' ' PHE . 84.3 mt -56.17 -38.8 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 t80 -73.86 -47.28 39.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 138' ' ' SER . 13.4 mt -65.09 -28.72 69.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.05 -57.34 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.694 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -39.89 -33.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 135' ' ' SER . 5.3 ptp -96.31 -36.36 10.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 134' ' ' MET . 5.2 t 52.41 46.37 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.55 -158.06 32.29 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.63 0.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.643 2.228 . . . . 0.0 112.409 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.424 ' HB2' HD22 ' A' ' 131' ' ' LEU . 77.5 p -55.81 156.59 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.6 p -110.5 17.92 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -93.29 177.62 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -48.37 -47.19 37.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.73 -124.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -160.42 154.07 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -112.14 158.79 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.91 39.26 88.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 t -98.53 142.34 24.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.691 0.757 . . . . 0.0 110.891 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.92 19.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 13' ' ' VAL . 8.0 pt-20 -80.2 -40.1 27.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -78.23 -45.47 22.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.563 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -52.82 -57.99 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 10' ' ' GLU . 7.5 p -41.89 -38.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -75.0 -45.48 41.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.3 m0 -41.08 -47.85 3.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -49.07 -37.54 23.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' GLY . 38.8 mt-10 -34.97 -47.11 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -157.54 156.59 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 117' ' ' GLU . 26.9 t80 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.8 -44.34 90.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -47.87 -44.1 29.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 32' ' ' PHE . 7.3 tp -62.27 -61.51 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 48' ' ' TRP . 41.3 mt -39.26 -47.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -49.32 -42.42 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CD2' ' HZ2' ' A' ' 15' ' ' TRP . 30.8 t-80 -77.37 135.3 38.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -65.08 -62.29 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.21 -45.18 61.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -48.32 79.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.551 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -57.02 -58.57 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.28 -56.15 3.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.07 -41.08 59.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 74.8 t80 -63.13 -48.96 76.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m -54.1 -44.64 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 34' ' ' ARG . 29.8 mtt85 -51.83 -54.28 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.4 -41.91 14.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 32' ' ' PHE . 27.6 mt -71.86 -43.17 65.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.85 -46.75 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -57.2 -40.3 77.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -91.81 13.52 18.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 52.05 33.94 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -116.78 16.91 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.8 pp20? -62.45 -40.48 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG3' HG12 ' A' ' 83' ' ' VAL . 16.0 pt-20 -41.18 -36.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -53.64 -54.68 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.1 tp -72.6 -33.99 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.98 -46.19 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.687 ' CD2' HG21 ' A' ' 112' ' ' VAL . 38.1 t80 -63.86 -49.48 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CE2' HD13 ' A' ' 23' ' ' LEU . 42.9 t90 -42.2 -49.07 4.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.25 -42.39 90.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.38 -28.09 51.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' SG ' ' CZ ' ' A' ' 47' ' ' PHE . 50.6 m -75.35 -68.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -43.63 -31.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.97 -34.91 20.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 1.9 t80 -58.02 -39.25 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.83 -45.43 86.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -40.77 -34.51 0.39 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.7 m -53.95 166.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 54.7 pttt -143.28 124.89 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 63' ' ' ILE . . . 103.93 162.85 24.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -69.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -49.36 -58.57 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 59' ' ' GLY . 33.7 mt -45.18 -49.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -56.76 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mp -49.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -49.58 -46.25 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.83 -54.83 20.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -53.65 -54.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.87 -66.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 74' ' ' PHE . 94.3 mt -51.6 -41.55 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.507 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 1.1 t80 -58.11 -61.33 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 27.7 mt-10 -69.04 -0.1 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 22.5 tttt -96.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 47' ' ' PHE . 11.5 m-85 -97.99 -63.45 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 35.7 mm -32.15 -73.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.574 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 5.2 pt20 -52.79 155.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -91.87 -33.12 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.406 ' C ' HE21 ' A' ' 76' ' ' GLN . 0.7 OUTLIER -71.09 17.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -102.94 157.33 33.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 -37.36 9.26 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -100.83 17.82 21.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -52.0 124.35 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.411 HG12 ' HG3' ' A' ' 43' ' ' GLU . 34.0 m -104.47 179.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.25 108.59 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -121.74 153.15 38.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.1 t70 -61.93 143.18 56.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.91 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.468 ' NE2' HG21 ' A' ' 92' ' ' VAL . 77.9 t60 -52.48 -64.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.3 m -47.11 -41.22 16.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 16.4 tttt -63.3 -51.28 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.9 tp10 -65.16 -60.67 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG21 ' NE2' ' A' ' 88' ' ' HIS . 96.6 t -34.56 -46.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.99 -52.65 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -45.68 -44.42 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -83.48 -34.43 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -88.27 18.02 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.489 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -71.33 -10.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.667 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 t -103.61 -21.18 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.814 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 5.5 pt20 -118.1 29.27 0.13 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.66 132.35 23.29 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.3 p -109.39 178.85 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 63' ' ' ILE . 37.5 mt -66.19 -18.99 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -106.11 17.37 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -75.77 -55.03 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HD2' ' CE2' ' A' ' 54' ' ' PHE . 55.2 m-85 -73.79 7.11 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.48 -46.67 63.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.2 -46.73 66.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.13 94.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -55.54 -40.26 71.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 t -63.83 -38.41 91.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.07 -54.72 43.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 47' ' ' PHE . 95.0 t -61.01 -47.19 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -42.61 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.25 -54.21 32.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 mt -38.69 -42.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.19 -65.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -39.41 -33.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.93 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 -37.73 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.1 m -47.7 -53.23 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.797 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.518 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 21.6 t80 -65.91 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -41.02 -46.97 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.66 -48.87 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' PHE . 41.4 t80 -49.24 -28.47 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.518 HD11 ' CZ ' ' A' ' 121' ' ' TYR . 93.7 mt -71.65 -30.31 65.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -107.12 16.81 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' ASP . 64.1 p -90.84 121.57 32.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.2 m-20 -35.37 -47.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.52 -54.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.626 ' HA ' HD23 ' A' ' 133' ' ' LEU . 5.8 t80 -54.64 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 128' ' ' ASP . 11.1 mt -46.81 -33.77 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -70.09 -51.62 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -40.52 -39.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.49 ' N ' ' HG ' ' A' ' 133' ' ' LEU . 5.2 ptp -91.98 -38.24 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 134' ' ' MET . 3.7 m -68.79 -2.4 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.76 144.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 87.72 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.362 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 96.8 p -79.59 120.15 23.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 t -126.21 161.14 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.513 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -54.91 125.59 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -157.64 116.39 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.64 117.99 10.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -67.85 167.57 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -153.63 114.84 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.85 60.67 0.53 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -62.91 141.17 97.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.717 0.77 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -5.19 15.63 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 13' ' ' VAL . 61.4 tt0 -90.89 -44.76 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 25' ' ' HIS . 18.2 pt-20 -70.67 -43.27 69.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -60.69 -55.03 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 10' ' ' GLU . 6.5 p -45.68 -36.28 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' TRP . 40.2 mttm -77.1 -49.22 15.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 12' ' ' ALA . 54.0 m0 -36.76 -52.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -43.92 -41.54 6.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLY . 28.2 mt-10 -32.15 -59.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.1 p -151.31 156.68 41.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 23' ' ' LEU . 26.9 t80 -56.74 -39.47 74.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -54.28 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -39.54 -53.49 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -48.58 -50.16 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 19' ' ' PHE . 30.7 mt -61.9 -49.84 74.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -40.28 -43.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' NE2' ' OE1' ' A' ' 11' ' ' GLU . 3.0 t-80 -77.35 140.55 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -64.88 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.32 -51.45 34.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.64 -55.56 22.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.454 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 45' ' ' ILE . 45.6 tp -53.57 -53.29 53.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.767 0.317 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -48.07 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.98 35.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 40.9 t80 -55.0 -45.8 75.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -55.66 -50.91 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 34' ' ' ARG . 10.3 mtp180 -43.83 -51.65 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 123' ' ' ARG . 10.5 t80 -50.05 -41.95 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 34.8 mt -74.53 -43.94 53.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -46.1 -41.83 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -68.3 -36.29 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -92.31 14.49 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 51.2 34.57 11.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.467 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.7 m -109.25 -13.99 14.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 45' ' ' ILE . 1.7 pp20? -41.69 -45.89 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -33.88 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' GLU . 76.3 m-20 -66.33 -56.84 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 29' ' ' LEU . 8.7 tp -62.26 -29.41 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.0 -43.49 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 24.0 t80 -70.54 -45.19 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 23' ' ' LEU . 75.5 t90 -50.38 -46.65 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.61 -49.41 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.85 -41.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.423 ' C ' ' HE2' ' A' ' 55' ' ' LYS . 72.0 m -61.51 -59.17 5.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -42.03 -39.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.61 -37.22 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 6.6 t80 -58.13 -44.14 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -67.18 -40.87 86.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -43.9 -30.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -52.02 151.93 3.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -117.87 -37.3 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.45 163.37 38.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.67 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 4.1 mm-40 -41.02 -70.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.52 ' CG ' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -34.52 -45.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 67.9 mt -62.32 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.0 m-70 -68.62 -41.13 79.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.81 -59.15 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HE3' ' CG ' ' A' ' 62' ' ' GLN . 9.6 mtmp? -51.3 -48.09 62.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.89 -53.6 9.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -58.73 -47.52 84.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -59.97 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.28 -36.62 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.917 ' CE2' HG21 ' A' ' 75' ' ' ILE . 7.7 t80 -57.36 -65.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . 21.9 mt-10 -62.69 -0.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.908 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 19.7 tttp -92.77 -54.43 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 2.5 m-85 -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.917 HG21 ' CE2' ' A' ' 71' ' ' TYR . 45.3 mm -54.79 -69.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.732 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 5.6 pt20 -54.07 145.2 17.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 79' ' ' ALA . 23.8 m -70.78 -39.09 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' HE21 ' A' ' 76' ' ' GLN . 32.9 t70 -71.27 18.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.908 ' HB1' ' O ' ' A' ' 73' ' ' LYS . . . -92.95 143.1 26.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -25.3 28.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.269 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -108.07 17.96 21.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 0.4 OUTLIER -49.55 110.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 27.7 m -94.74 176.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -84.42 108.95 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.5 mt -124.93 144.69 50.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 8.9 p-10 -66.06 161.6 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -61.37 -54.03 48.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -51.34 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.1 m -46.3 -58.91 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 14.2 tttm -47.94 -43.52 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' VAL . 5.1 tp10 -67.64 -63.72 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.4 t -36.08 -44.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 108' ' ' ALA . 87.9 mt -68.75 -45.74 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -51.46 -44.73 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -85.55 -31.41 22.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 22.5 m -93.46 18.02 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.443 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.9 tp -74.15 -10.06 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.665 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 8.8 t -105.98 -17.76 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.816 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 20.6 pt20 -117.98 29.39 0.13 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.8 Cg_endo -69.72 154.66 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.465 ' H ' ' CB ' ' A' ' 104' ' ' SER . 61.5 p -136.13 177.93 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.13 -24.85 67.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -104.88 17.96 23.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.465 ' CB ' ' H ' ' A' ' 101' ' ' THR . 4.6 m -85.46 -69.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' ASP . 6.3 m-85 -43.21 -34.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' PHE . 24.1 t70 -34.96 -46.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -55.11 -42.11 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -51.23 -42.8 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 t -49.49 -49.81 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -57.27 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.496 HG21 ' CD1' ' A' ' 47' ' ' PHE . 90.4 t -58.57 -43.38 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -56.27 -46.53 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -72.81 -48.46 37.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.34 -40.39 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.41 ' C ' ' N ' ' A' ' 118' ' ' GLN . 70.0 mtm -76.54 -60.7 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 tt0 -45.65 -20.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 116' ' ' MET . 7.9 mm-40 -61.77 -69.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.9 -37.87 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB2' ' CA ' ' A' ' 116' ' ' MET . 71.5 m -49.88 -50.3 46.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 37.4 t80 -66.27 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 p -42.49 -47.74 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 58.0 mtt180 -63.45 -46.67 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 66.6 t80 -48.32 -40.8 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 74.8 mt -62.34 -35.45 79.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -97.63 14.88 25.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.3 p -98.2 132.32 43.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -50.03 -46.1 52.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 35' ' ' PHE . 94.8 mt -45.6 -44.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 4.4 t80 -69.97 -46.08 65.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 128' ' ' ASP . 13.6 mt -63.96 -26.14 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 133' ' ' LEU . 26.3 t70 -73.92 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -37.58 -42.21 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 135' ' ' SER . 4.3 ptp -88.51 -36.18 16.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 134' ' ' MET . 6.5 t 52.21 43.8 30.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.8 147.21 50.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -51.89 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.2 p -67.49 -42.83 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 m -45.79 -43.26 13.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -73.27 158.97 34.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.863 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -133.09 119.46 20.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 46.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -114.17 152.64 30.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -105.23 -37.97 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.54 -171.29 12.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -110.98 109.42 57.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -35.83 11.92 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.655 2.236 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 11' ' ' GLU . 2.6 pm0 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 48.1 mt-10 -83.82 -40.51 18.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.16 -30.96 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -76.8 -39.19 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.8 m0 -39.41 -59.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -38.08 -35.62 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 16' ' ' GLY . 68.5 mt-10 -32.12 -59.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . 69.5 m -157.13 156.92 33.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 8.4 t80 -55.45 -40.05 71.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -52.63 -60.81 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 18' ' ' SER . 6.8 mptt -40.43 -53.99 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 48' ' ' TRP . 46.7 mt -58.31 -47.02 85.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 t -43.0 -44.02 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 5.0 t-80 -88.77 140.88 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 2.9 tpm_? -71.14 -57.02 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.535 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 5.6 m-20 -41.16 -58.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.8 28.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 45' ' ' ILE . 67.7 tp -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -48.96 -61.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.82 -45.5 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.02 -49.53 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 HG21 ' A' ' 45' ' ' ILE . 16.0 m -51.87 -44.22 63.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 34' ' ' ARG . 5.7 mtp85 -52.66 -48.51 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 129' ' ' ILE . 6.4 t80 -49.52 -43.63 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.13 -46.43 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -43.81 -47.9 8.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -95.55 12.43 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 52.22 32.03 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -117.32 16.7 14.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -60.6 -40.62 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 26.0 pm0 -36.5 -34.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 19.7 m-20 -57.67 -49.79 75.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.805 HD11 HD11 ' A' ' 29' ' ' LEU . 8.1 tp -75.41 -30.66 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG3' ' OE2' ' A' ' 42' ' ' GLU . 5.0 mm-40 -50.79 -49.97 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' ' CD2' ' A' ' 74' ' ' PHE . 77.0 t80 -62.33 -41.78 98.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.669 ' CE2' HD13 ' A' ' 23' ' ' LEU . 19.0 t90 -56.78 -38.07 71.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.49 -55.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 70' ' ' ILE . . . -47.37 -30.31 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' PHE . 36.7 m -69.32 -64.44 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -49.18 -26.16 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.26 -18.27 20.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.733 ' CE2' HG23 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -70.14 -48.73 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -70.12 -27.88 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 7.0 mtpm? -48.49 -29.02 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -53.67 166.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 9.1 ptpp? -117.79 -36.84 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 58' ' ' LYS . . . -101.82 167.93 18.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.741 ' HA ' HD12 ' A' ' 63' ' ' ILE . 52.8 Cg_endo -69.88 -48.63 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -39.24 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -44.25 -47.99 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 60' ' ' PRO . 62.6 mt -53.09 -52.91 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -53.65 -53.04 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -49.6 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -52.83 -51.06 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 71' ' ' TYR . . . -48.07 -58.07 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -51.29 -58.52 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . . . -53.28 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' A' ' 74' ' ' PHE . 36.9 mt -48.29 -41.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.597 ' CD2' ' HG3' ' A' ' 72' ' ' GLU . 1.8 t80 -58.01 -62.36 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.597 ' HG3' ' CD2' ' A' ' 71' ' ' TYR . 54.5 mt-10 -66.15 -3.6 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.62 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 9.7 ttpt -93.11 -65.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 1.7 m-85 -97.92 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 85' ' ' LEU . 47.1 mm -35.23 -68.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.1 pt20 -53.58 142.58 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.618 HG22 ' H ' ' A' ' 78' ' ' ASP . 2.0 m -81.64 171.11 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' ' 77' ' ' THR . 33.3 t70 52.35 32.1 10.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.059 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -105.04 175.96 1.94 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.695 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 1.059 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.71 -37.3 9.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -116.29 17.99 15.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 8.8 pt-20 -52.01 130.01 28.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 81' ' ' LYS . 18.5 m -122.89 171.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -75.94 107.58 8.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 75' ' ' ILE . 26.4 mt -129.81 143.62 50.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -60.45 149.52 33.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.35 -60.93 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.2 t60 -45.07 -53.16 8.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -54.91 -45.44 74.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -62.01 -52.75 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.44 -49.87 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 88' ' ' HIS . 93.4 t -52.16 -47.47 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.57 -41.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 m -57.45 -43.78 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -86.64 -27.1 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 t -97.11 18.02 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.432 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.7 tp -73.91 -5.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.673 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 24.7 p -107.3 -20.86 13.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.823 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 77.6 mt-30 -118.01 28.37 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.823 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 54.4 Cg_endo -69.76 122.43 9.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.584 2.189 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -97.67 178.52 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 55' ' ' LYS . 78.5 mt -63.75 -30.24 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -97.33 18.02 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -69.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 106' ' ' ASP . 20.2 m-85 -50.28 -34.58 23.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 105' ' ' PHE . 15.2 t0 -32.45 -45.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.91 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.7 90.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -50.6 -41.03 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 114' ' ' GLN . 5.3 t -63.2 -45.5 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.402 ' HA ' HD12 ' A' ' 115' ' ' LEU . 89.7 t -56.32 -48.58 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -40.68 -42.52 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 110' ' ' SER . 48.9 mt-30 -73.94 -43.88 56.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 112' ' ' VAL . 5.5 mt -48.79 -45.05 39.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 120' ' ' SER . 57.4 mtm -73.01 -52.33 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 121' ' ' TYR . 16.2 tp10 -48.41 -17.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 116' ' ' MET . 27.7 mt-30 -63.48 -69.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.89 -38.0 3.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 116' ' ' MET . 2.0 m -49.32 -39.77 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.525 ' CD2' ' OE1' ' A' ' 117' ' ' GLU . 26.2 t80 -74.33 -65.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.9 p -44.55 -43.48 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -65.45 -48.0 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 130' ' ' TYR . 53.0 t80 -47.65 -50.05 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 79.4 mt -51.06 -24.96 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -100.88 -22.36 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 p -56.51 131.32 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -51.94 -36.64 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 35' ' ' PHE . 91.4 mt -52.27 -41.02 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' HB2' ' CE1' ' A' ' 124' ' ' PHE . 16.6 t80 -73.8 -62.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.6 -27.43 26.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.79 -61.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.631 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -42.2 -36.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 135' ' ' SER . 3.5 ptp -92.88 -35.67 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 134' ' ' MET . 19.8 p 50.93 40.03 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.59 145.72 31.69 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.396 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.2 p -82.89 -62.11 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t -60.6 125.46 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -119.87 165.09 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -104.46 117.38 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.98 -51.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -54.31 -61.72 2.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -60.5 125.26 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.15 -159.8 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -126.6 147.54 61.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.72 0.772 . . . . 0.0 110.78 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.81 -21.21 33.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -78.1 -33.47 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 71.8 mt-10 -77.9 -30.16 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . . . -75.02 -49.62 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 9' ' ' PRO . 4.0 p -56.12 -33.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -79.65 -43.78 22.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' N ' ' A' ' 28' ' ' GLY . 43.4 m0 -47.31 -41.76 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.53 -29.34 11.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -44.72 -64.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -144.37 173.0 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 23' ' ' LEU . 18.7 t80 -74.92 -36.78 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.62 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -55.39 -42.03 73.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 32' ' ' PHE . 12.5 tp -59.92 -55.96 27.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 19' ' ' PHE . 36.7 mt -58.66 -53.57 56.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -39.57 -40.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 11' ' ' GLU . 11.2 t-80 -82.64 148.31 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -77.81 -59.08 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -44.75 -54.03 6.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' N ' ' CH2' ' A' ' 15' ' ' TRP . . . -58.63 -50.76 63.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 HD11 ' A' ' 45' ' ' ILE . 55.5 tp -47.73 -50.15 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.86 -58.79 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.9 -50.45 46.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 124' ' ' PHE . 34.3 t80 -54.01 -55.41 27.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.3 m -44.42 -48.08 9.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -51.94 -50.94 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CA ' HD12 ' A' ' 129' ' ' ILE . 19.0 t80 -46.84 -40.62 14.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HB3' ' N ' ' A' ' 42' ' ' GLU . 13.8 mt -71.88 -45.74 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -44.89 -47.81 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -54.72 -34.51 62.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.53 11.29 38.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 52.28 35.24 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -114.48 -4.82 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -40.56 -43.18 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 10.7 pm0 -34.21 -34.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' HG2' ' A' ' 43' ' ' GLU . 51.9 m-20 -57.78 -57.73 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 tp -66.05 -27.36 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.52 -42.62 83.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.513 ' HD2' HG21 ' A' ' 112' ' ' VAL . 52.7 t80 -70.74 -40.61 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -56.02 -42.37 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.8 mt -69.31 -47.68 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -41.96 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 47.6 m -56.43 -53.65 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -51.95 -38.46 56.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.45 -22.42 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' ' 51' ' ' CYS . 11.7 t80 -62.83 -46.31 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -61.79 -45.36 94.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' LYS . 29.1 mtpt -33.2 -34.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.7 t -52.1 145.6 10.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -113.81 -37.79 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.77 169.64 30.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 54.1 Cg_endo -69.78 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.414 HE21 ' CD1' ' A' ' 65' ' ' LEU . 13.5 tp60 -44.15 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -38.15 -45.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 60' ' ' PRO . 71.6 mt -59.24 -51.65 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -53.52 -53.88 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 65' ' ' LEU . 7.8 mp -55.83 -53.92 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -54.36 -48.99 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.81 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -66.55 -55.49 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 19.5 mt -56.37 -37.91 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 75' ' ' ILE . 6.1 t80 -55.93 -61.5 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.66 -4.06 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 74' ' ' PHE . 15.6 tttp -91.72 -68.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 81' ' ' LYS . 1.6 m-85 -98.34 -61.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 71' ' ' TYR . 38.1 mm -35.83 -67.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 4.0 pt20 -53.82 138.67 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 78' ' ' ASP . 1.3 m -77.15 173.31 12.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' ' 77' ' ' THR . 29.1 m-20 50.49 31.94 6.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -104.49 168.94 7.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.2 Cg_endo -69.87 -27.14 26.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 29.9 mmtt -118.03 18.0 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 77' ' ' THR . 8.8 tm-20 -52.13 117.55 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 74' ' ' PHE . 28.8 m -109.85 173.78 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -91.61 102.03 14.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.96 151.11 36.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.39 144.94 40.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.51 -50.21 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -61.39 -64.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -46.62 -42.79 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -64.06 -40.33 96.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 94' ' ' THR . 10.0 tt0 -75.16 -62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.5 p -38.25 -40.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.452 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 96.7 mt -69.14 -37.8 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 91' ' ' GLU . 94.6 m -63.56 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -86.15 -21.26 27.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.1 m -107.29 18.04 22.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 10.8 tp -70.62 -7.23 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.669 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 31.3 p -104.76 -20.93 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.818 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 15.3 mm-40 -118.06 29.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.3 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.6 p -95.86 174.42 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.64 -29.95 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -95.91 18.11 13.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 t -79.02 -70.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 106' ' ' ASP . 13.2 m-85 -51.05 -34.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 105' ' ' PHE . 32.2 t70 -35.33 -43.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.54 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.84 -48.7 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -46.36 -43.25 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.3 t -59.45 -42.49 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -62.13 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.513 HG21 ' HD2' ' A' ' 47' ' ' PHE . 57.9 t -54.93 -43.32 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -49.62 -48.25 49.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 28.0 mt-30 -64.08 -37.49 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 118' ' ' GLN . 9.2 mt -65.87 -27.09 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' A' ' 120' ' ' SER . 52.7 mtm -93.76 -12.65 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 6.8 tm-20 -95.88 -17.11 21.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.566 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.2 OUTLIER -57.89 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -35.92 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 116' ' ' MET . 13.1 t -52.81 -32.99 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 5.8 t80 -71.05 -66.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.6 t -56.22 -33.73 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -62.28 -52.03 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 32' ' ' PHE . 62.9 t80 -45.07 -37.03 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 122' ' ' THR . 11.4 mt -57.75 -43.86 85.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -96.4 17.48 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 p -89.06 138.17 31.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 131' ' ' LEU . 35.8 t0 -45.15 -46.87 12.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.504 HD12 ' CA ' ' A' ' 35' ' ' PHE . 71.0 mt -50.86 -56.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.805 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.2 t80 -50.91 -43.9 59.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 128' ' ' ASP . 10.0 mt -68.81 -32.66 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -56.67 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.805 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.8 OUTLIER -41.44 -39.71 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 135' ' ' SER . 6.1 ptp -89.0 -34.95 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 134' ' ' MET . 7.3 t 53.89 44.15 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -140.85 137.03 7.95 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 132.73 54.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.5 m -60.17 -48.73 80.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.6 t -36.25 -48.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -68.63 136.24 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.44 -88.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -89.66 153.34 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -88.79 -45.37 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 135.46 3.58 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -124.73 143.36 43.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.716 0.769 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -8.37 23.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 9.6 tp10 -77.11 -33.97 56.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 11.5 pt-20 -91.51 -50.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 15' ' ' TRP . . . -49.75 -35.32 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.1 p -57.97 -36.02 54.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' GLU . 27.2 mtmt -79.62 -42.69 24.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 51.2 m0 -36.05 -46.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -54.71 -42.3 77.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mt-10 -33.51 -63.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.8 p -135.42 151.46 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.85 -34.87 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.36 59.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -40.18 -59.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -41.82 -60.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -53.0 -44.19 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -47.08 -41.78 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.86 132.24 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -59.4 -57.44 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -41.13 -51.09 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.49 -48.82 79.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.17 -49.94 70.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.768 0.318 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -49.87 -55.91 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.11 80.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HA ' ' CE1' ' A' ' 124' ' ' PHE . 68.3 t80 -54.29 -49.81 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -56.01 -52.44 64.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -45.31 -52.3 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 123' ' ' ARG . 4.5 t80 -49.44 -42.78 43.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 45' ' ' ILE . 19.0 mt -72.8 -42.85 63.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -44.6 -48.46 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -59.91 -36.42 76.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -89.88 8.94 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 52.79 33.7 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -112.98 -7.2 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ASN . 1.7 pm0 -43.95 -41.22 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' GLU . 5.8 pt-20 -35.65 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.599 ' O ' HG11 ' A' ' 112' ' ' VAL . 50.2 m-20 -66.26 -58.28 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 42' ' ' GLU . 6.9 tp -65.4 -40.46 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 81' ' ' LYS . 6.2 mt-10 -43.51 -48.08 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HD2' HG21 ' A' ' 112' ' ' VAL . 71.1 t80 -63.44 -44.1 95.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CZ3' ' HG3' ' A' ' 52' ' ' GLU . 17.7 t90 -50.05 -40.17 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.86 -55.45 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.88 -43.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.5 m -58.88 -49.34 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 61.3 mm-40 -50.71 -50.34 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.02 -28.78 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 63' ' ' ILE . 5.5 t80 -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -73.23 -40.58 64.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -37.58 -33.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -52.33 150.7 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -116.9 -37.8 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.7 165.94 31.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -38.34 -68.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -39.34 -65.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 71.5 mt -35.91 -55.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -53.32 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mp -49.64 -59.31 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -51.45 -42.71 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.82 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -64.41 -58.44 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.28 -54.97 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.66 -37.49 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 75' ' ' ILE . 3.9 t80 -58.04 -60.41 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 54.7 mt-10 -64.84 -3.69 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.549 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 tttp -94.06 -58.56 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 15.0 m-85 -108.77 -62.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 71' ' ' TYR . 46.3 mm -32.47 -73.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.45 HE21 ' N ' ' A' ' 79' ' ' ALA . 7.3 pt20 -52.81 165.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -98.72 -27.75 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.96 17.95 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 72' ' ' GLU . . . -102.87 154.71 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.92 -32.78 17.24 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HD2' ' CD ' ' A' ' 46' ' ' GLU . 22.0 mmtt -103.44 18.06 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.05 128.44 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG2' HH22 ' A' ' 111' ' ' ARG . 32.7 m -114.41 157.47 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.571 ' O ' ' NH2' ' A' ' 111' ' ' ARG . 4.4 m-20 -77.95 102.18 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD23 ' HE ' ' A' ' 111' ' ' ARG . 15.5 mt -102.99 140.62 37.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' PHE . 1.4 m-20 -52.07 135.24 31.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -32.48 -51.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -68.23 -57.45 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.493 HG21 HD22 ' A' ' 85' ' ' LEU . 96.8 m -45.52 -35.62 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.61 -49.56 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' THR . 19.4 tt0 -63.25 -59.4 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -40.0 -47.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.57 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 98.1 mt -66.62 -36.6 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLU . 30.0 m -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.196 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -86.23 -16.18 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -109.75 17.93 20.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.448 ' C ' ' HD3' ' A' ' 100' ' ' PRO . 11.2 tp -77.0 -7.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.681 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 37.1 p -106.28 -23.61 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.829 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 7.4 mm100 -118.09 28.15 0.12 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.829 ' CD ' ' N ' ' A' ' 99' ' ' GLN . 53.2 Cg_endo -69.74 126.14 12.97 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.407 ' N ' ' HB2' ' A' ' 104' ' ' SER . 60.6 p -97.58 178.27 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.6 -23.53 64.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -104.72 16.7 25.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 101' ' ' THR . 1.4 t -69.03 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' ASP . 29.4 m-85 -51.13 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 105' ' ' PHE . 3.1 t70 -35.66 -46.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -56.06 27.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB2' HD11 ' A' ' 93' ' ' ILE . . . -56.46 -47.92 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -48.31 -45.53 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.3 t -59.1 -24.61 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.824 ' HE ' HD23 ' A' ' 85' ' ' LEU . 1.9 tmm_? -73.61 -61.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.615 HG22 ' NH1' ' A' ' 111' ' ' ARG . 26.2 t -56.4 -43.08 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -44.86 -39.35 5.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 115' ' ' LEU . 52.6 mt-30 -75.41 -63.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.755 HD12 ' NH1' ' A' ' 111' ' ' ARG . 6.2 mt -34.09 -38.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' GLN . 78.8 mtm -74.72 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 117' ' ' GLU . 6.4 tm-20 -42.38 -22.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' MET . 17.6 mt-30 -59.1 -70.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -37.69 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' MET . 12.2 m -46.9 -46.71 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' A' ' 125' ' ' LEU . 19.5 t80 -69.23 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.4 p -44.02 -38.39 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 12.8 ttm180 -74.65 -37.2 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 130' ' ' TYR . 73.4 t80 -62.74 -40.04 96.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 130' ' ' TYR . 68.9 mt -59.7 -25.22 64.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -112.85 15.31 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 p -88.18 124.12 33.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -40.15 -41.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 35' ' ' PHE . 95.2 mt -54.46 -54.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.632 ' HA ' HD23 ' A' ' 133' ' ' LEU . 1.0 OUTLIER -60.57 -42.8 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.08 -28.14 66.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -76.91 -57.69 3.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 130' ' ' TYR . 0.6 OUTLIER -41.25 -37.12 0.89 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 135' ' ' SER . 3.7 ptp -89.23 -32.72 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 134' ' ' MET . 21.5 p 54.48 40.55 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.92 162.18 51.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 166.56 27.11 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.704 2.269 . . . . 0.0 112.405 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 t -76.1 122.21 23.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.6 m -91.42 -57.1 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 -179.977 . . . . . . . . 0 0 . 1 stop_ save_