data_2csh_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 2csh _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 ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 148.0 64.35 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.734 2.289 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -114.18 162.71 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -52.43 -44.67 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.3 p -62.95 -31.83 73.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 -23.94 4.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.4 167.69 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 p -133.99 128.2 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.41 162.78 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 m -75.79 -32.36 59.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -116.6 163.4 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.578 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -77.05 -38.19 53.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -63.37 -34.05 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.82 -32.21 65.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.1 tmm_? -81.82 -31.91 31.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -66.11 -52.78 45.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -50.97 -31.53 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.27 -22.16 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 mtp -80.51 -45.65 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 p -63.38 -36.16 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -66.59 -36.0 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.9 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.25 33.22 2.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.493 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -123.23 -43.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -115.99 -38.15 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.2 31.23 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mttm -98.87 176.56 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 17.5 mtpt -155.37 155.94 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.3 m-85 -147.81 144.77 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -68.52 -45.37 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.86 165.1 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -78.65 -36.35 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -71.81 -27.92 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 17.6 m170 -69.29 -25.13 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 47' ' ' PHE . 25.4 tp -83.89 -39.98 19.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.13 -50.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.55 -12.44 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 59' ' ' ILE . 13.7 t60 -107.76 -38.61 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.88 -25.71 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -8.58 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 56' ' ' HIS . 3.9 pt -88.28 -18.99 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.493 ' CG ' HG13 ' A' ' 42' ' ' VAL . 83.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.471 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 4.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -137.15 143.62 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.97 176.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.05 -36.4 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.26 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.34 -7.51 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.04 29.92 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -66.72 157.34 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -110.2 136.42 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -140.01 131.4 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.546 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.0 ptm -80.21 -38.68 30.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.546 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 46.5 m95 -80.19 153.87 28.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -85.11 -57.92 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 5.3 m-20 -46.53 -48.1 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -68.96 -39.78 79.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 66' ' ' TYR . 10.7 t80 -55.92 -58.71 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -68.9 -42.2 77.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 27.6 ttm-85 -52.91 -38.47 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -78.91 -58.66 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 87.6 t -47.04 -41.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -48.96 -46.91 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -81.64 -47.35 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.16 -31.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . 86.6 m -86.3 -44.79 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' THR . 4.8 mmmm -34.52 -51.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 m -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.5 t80 -52.02 -41.98 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.676 0.75 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.24 9.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.74 158.56 15.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -56.22 -41.88 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.56 -28.84 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.09 -27.0 5.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -64.16 167.84 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.3 m -135.33 124.54 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -105.19 148.96 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.4 m -74.36 -26.18 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -111.44 133.64 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.86 -36.31 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -62.06 -39.56 92.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.13 -31.03 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -76.76 -42.84 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -60.58 -53.15 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.514 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 5.4 ptm180 -54.67 -32.28 59.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.414 ' NE2' ' HE3' ' A' ' 31' ' ' MET . 2.2 t-80 -79.14 -26.32 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -81.63 -39.11 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -69.78 -35.79 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.414 ' HE3' ' NE2' ' A' ' 28' ' ' HIS . 4.9 ptt? -67.29 -31.38 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.38 38.71 2.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 60' ' ' HIS . 50.9 t -129.54 -45.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 17.1 p -114.35 -36.42 4.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 30.76 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 26.4 mttt -96.19 -179.28 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 31.7 mtmm -157.16 158.03 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 10.3 m-85 -151.78 151.1 30.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -76.12 -44.61 37.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.521 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 8.6 mmt -99.41 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -67.7 -32.27 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -74.21 -33.88 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.52 -25.57 68.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -81.6 -42.8 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' HIS . 43.1 t -53.59 -61.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.59 -27.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.545 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t60 -94.31 -40.54 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.54 -27.95 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -56.16 -19.16 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.529 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 5.9 pt -76.34 -19.35 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.2 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 26.9 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.811 0.339 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -148.25 147.91 29.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.48 174.02 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -109.69 -39.63 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.51 -63.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.4 p -89.27 -13.06 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.44 29.34 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -65.68 157.86 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -113.29 132.95 55.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -129.1 126.88 40.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.37 -42.74 82.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -94.54 134.87 36.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttm180 -60.79 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ARG . 30.1 t0 -37.77 -44.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -38.36 73.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 85' ' ' VAL . 3.0 t80 -57.32 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -57.13 -43.21 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -55.38 -47.68 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.8 t60 -69.85 -64.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 81' ' ' PHE . 46.6 t -39.32 -51.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -44.22 -41.1 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 m -85.2 -41.85 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.5 t -57.29 -23.72 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' LYS . 59.7 m -81.8 -50.57 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 32.8 mtpt -34.69 -46.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -66.22 -50.02 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.8 t80 -56.18 -43.77 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.692 0.758 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -94.6 161.72 14.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -60.33 -39.02 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 26.8 p -67.36 -31.0 70.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.78 -30.74 3.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.22 160.86 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -133.36 130.81 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 6.5 m-85 -106.33 171.67 7.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.3 m -84.15 -34.34 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -109.85 167.2 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.7 ttpp -79.58 -38.63 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.9 m -62.57 -48.53 79.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.84 -38.42 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.2 tmm_? -76.46 -38.68 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -59.41 -54.62 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -52.43 -32.13 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -77.1 -36.81 55.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.432 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 18.7 mtp -64.74 -47.87 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 p -49.11 -37.65 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.0 mtm -52.86 -40.73 63.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 10.1 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.0 33.94 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 60' ' ' HIS . 46.2 t -125.52 -44.28 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.6 p -114.81 -39.15 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.31 31.03 1.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 31.8 mttt -98.74 176.46 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.607 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.5 mttt -153.84 156.2 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.6 m-85 -145.28 148.56 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -44.95 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.525 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 15.9 mmt -100.56 167.55 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.85 -49.79 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.7 OUTLIER -62.4 -35.1 78.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 64.7 m170 -57.75 -30.14 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 47' ' ' PHE . 14.2 tp -83.98 -37.22 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 t -52.8 -60.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.67 -26.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.58 ' CE1' HD13 ' A' ' 59' ' ' ILE . 14.8 t60 -92.43 -40.81 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -56.55 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -58.64 -16.01 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 56' ' ' HIS . 3.8 pt -84.3 -15.18 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 31.1 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -144.42 135.14 24.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.35 173.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 1.5 p-10 -111.28 -30.74 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.409 HD11 ' CG ' ' A' ' 69' ' ' ASN . 5.4 mp -82.85 -65.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.97 -10.97 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.4 28.73 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 84' ' ' HIS . 16.9 mtmt -72.13 156.71 38.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -113.01 139.79 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -134.05 119.21 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.0 ttp -59.94 -43.25 95.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -81.69 153.16 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -78.47 -53.77 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -36.0 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.9 p -66.66 -28.58 68.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.554 ' CE1' HG23 ' A' ' 85' ' ' VAL . 23.2 t80 -70.77 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -60.24 -44.27 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -50.85 -44.59 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 73' ' ' LYS . 2.0 t60 -80.17 -57.91 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 81' ' ' PHE . 61.5 t -44.05 -50.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -42.17 -42.27 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -83.47 -54.06 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.1 t -38.59 -35.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.0 m -82.12 -45.68 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' THR . 2.9 mmmm -33.97 -55.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -68.29 -41.3 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.3 t80 -53.99 -51.54 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.79 125.85 12.6 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 t -96.61 158.99 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -53.99 -47.03 71.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 p -59.39 -27.53 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.18 -26.32 5.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -60.57 174.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 m -142.52 129.49 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -112.4 142.69 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -65.02 -26.51 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -112.72 149.37 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 16.2 tptm -69.33 -38.87 78.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -61.72 -41.72 98.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -62.79 -32.08 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -80.9 -31.94 34.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.51 -55.02 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.51 -32.04 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' A' ' 31' ' ' MET . 13.8 t-80 -74.03 -33.71 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.95 -48.62 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 p -51.59 -43.66 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 28' ' ' HIS . 39.3 mtm -48.06 -52.78 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 25.7 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.16 29.42 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -118.85 -42.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.151 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.97 -36.73 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.2 31.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 22.0 mttp -97.89 178.67 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 62.8 mttm -158.55 152.62 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.2 m-85 -145.59 148.21 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -72.14 -44.03 63.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.484 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 16.6 mtt -95.44 160.51 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 16.8 pttm -70.53 -49.29 49.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.513 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 8.9 p-80 -63.24 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.459 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 11.0 m170 -58.75 -25.22 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 29.6 tp -88.17 -38.73 15.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.31 -59.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.35 -19.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.555 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 15.8 t60 -100.6 -36.79 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.476 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.35 -27.49 64.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -56.18 -26.33 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 56' ' ' HIS . 2.4 pt -70.82 -16.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CG ' HG13 ' A' ' 42' ' ' VAL . 75.6 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.531 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 44.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 9.0 tt0 -172.0 141.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.5 t -73.54 172.56 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 -41.5 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.56 -65.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -85.96 -8.3 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.29 26.39 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -64.23 167.65 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -125.82 139.9 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -139.78 136.91 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.496 ' HE1' ' CE2' ' A' ' 77' ' ' TRP . 26.2 ttp -82.28 -43.58 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.496 ' CE2' ' HE1' ' A' ' 76' ' ' MET . 47.1 m95 -82.94 149.35 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -77.98 -56.16 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -42.17 -56.17 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -61.31 -37.35 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 44.8 t80 -61.84 -71.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -49.01 -38.85 24.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.61 -39.85 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -74.25 -60.6 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.439 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.8 t -42.55 -53.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.8 m -52.49 -47.78 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 t -86.27 30.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 t -126.15 -27.36 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -89.11 -12.7 40.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -58.11 -53.92 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -72.66 -49.71 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 1.9 t80 -41.19 -49.47 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.0 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.706 0.765 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.8 122.54 9.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.3 t -92.43 158.71 15.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -55.66 -45.67 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 29.5 p -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.62 -24.84 4.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.37 161.39 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.5 m -134.39 127.83 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 22.8 m-85 -108.55 159.75 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.9 m -82.91 -22.81 33.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.16 142.43 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.8 tppt? -59.52 -36.94 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -64.29 -53.93 41.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.86 -31.53 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 4.2 tmm_? -79.03 -36.44 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.534 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -64.34 -54.65 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 10.7 ptm180 -51.12 -31.2 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.42 ' NE2' ' HE3' ' A' ' 31' ' ' MET . 5.1 t-80 -81.89 -19.66 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mmm -86.96 -35.39 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.8 p -70.61 -29.97 66.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 6.4 ptt? -71.78 -31.87 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.3 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.62 29.87 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG13 ' CG ' ' A' ' 60' ' ' HIS . 43.0 t -120.68 -43.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.49 -38.52 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.57 30.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 6.5 mtpt -95.99 -176.21 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.606 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 54.1 mttm -160.6 161.07 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 9.7 m-85 -152.14 151.07 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -70.51 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.537 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.7 mmt -104.72 164.93 11.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -69.69 -49.07 57.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -55.31 -38.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -60.62 -31.76 70.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' A' ' 47' ' ' PHE . 38.2 tp -78.12 -41.58 34.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.9 t -53.19 -61.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.81 -23.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.546 ' CE1' HD11 ' A' ' 59' ' ' ILE . 13.0 t60 -95.03 -43.35 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.76 -26.89 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.32 -14.77 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.546 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.6 pt -81.09 -17.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.515 ' CG ' HG13 ' A' ' 42' ' ' VAL . 76.1 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -162.49 142.52 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.95 174.1 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -108.88 -37.57 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.3 mp -77.84 -66.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.45 -14.31 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.06 26.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -63.94 155.17 31.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -109.43 136.18 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 81' ' ' PHE . 4.8 m-85 -118.68 -174.95 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -117.48 -32.66 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -127.53 144.75 51.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.66 -55.94 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 27.3 t0 -44.39 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -40.83 80.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 85' ' ' VAL . 3.1 t80 -61.9 -61.36 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -61.3 -39.13 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 24.1 ttm180 -53.16 -33.67 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.61 -50.14 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 81' ' ' PHE . 21.5 t -51.49 -40.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 87' ' ' SER . 1.1 t -50.61 -27.51 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' HG23 ' A' ' 86' ' ' THR . 17.2 t -102.3 -43.31 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.5 t -53.59 -19.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 14.0 m -90.87 -45.47 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 7.2 mtpm? -35.75 -57.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -57.42 -46.85 83.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -56.37 -39.27 72.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -91.06 163.65 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.4 p -63.84 -26.39 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.88 -20.98 7.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -62.34 168.95 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -135.13 126.58 28.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.43 148.49 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -74.13 -26.62 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -109.98 146.55 35.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -66.26 -43.3 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -57.88 -46.92 84.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -55.53 -39.84 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.7 tmm_? -73.04 -40.8 64.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.24 -52.93 63.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -56.49 -30.45 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -83.52 -13.43 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -87.94 -43.47 11.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 t -67.34 -36.18 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -36.95 80.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 28.4 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 24.66 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG12 ' CG ' ' A' ' 60' ' ' HIS . 60.5 t -112.57 -43.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.93 0.395 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 p -116.16 -36.82 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.47 31.41 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.8 mttp -97.0 -179.67 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.5 mttm -158.04 155.79 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 3.8 m-85 -149.98 158.11 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -85.39 -43.32 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.447 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 24.0 mmt -96.33 156.27 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -71.39 -30.77 66.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 4.3 p-80 -78.4 -30.82 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' A' ' 47' ' ' PHE . 31.2 tp -82.88 -40.07 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' HIS . 23.6 t -54.52 -61.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.56 -22.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 17.2 t60 -95.97 -44.96 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.7 -26.4 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.87 -12.55 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 56' ' ' HIS . 6.0 pt -84.04 -16.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG12 ' A' ' 42' ' ' VAL . 84.2 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.64 126.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -53.36 171.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -113.01 -34.94 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.42 -64.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.9 p -84.86 -10.81 56.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.45 31.37 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -76.65 161.07 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 85.3 mtt180 -115.62 151.19 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 74' ' ' ARG . 63.3 m-85 -148.32 153.08 38.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 12.1 ptm -96.08 -22.55 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 79.6 m95 -95.02 156.36 16.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -89.68 -53.02 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -53.18 -52.53 58.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -60.11 -35.48 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -59.85 -65.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -55.74 -47.5 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.8 -40.93 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.1 t60 -66.8 -52.03 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 t -56.37 -34.09 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -51.23 -41.69 60.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 m -76.67 -31.55 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.9 m -87.34 -53.72 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' THR . 16.6 mtpp -34.4 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -84.59 -50.15 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -48.94 -41.41 33.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.1 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.26 39.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.8 t -106.8 163.82 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -56.43 -42.21 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.38 -27.5 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.01 174.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -137.86 133.04 33.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 31.7 m-85 -116.02 144.18 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -61.76 -28.93 69.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -116.11 163.47 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -81.15 -38.35 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -65.75 -37.07 85.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 tmm_? -71.02 -37.56 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -67.47 -53.67 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.23 -31.68 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -78.38 -29.94 47.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.9 mtp -63.56 -44.23 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -57.17 -41.39 79.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.9 mtp -46.2 -48.46 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 17.7 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 33.28 2.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 60' ' ' HIS . 58.8 t -123.92 -46.58 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.23 -36.56 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.34 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 40.2 mttt -96.77 -178.59 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 38.4 mtmt -159.35 153.95 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.2 m-85 -147.93 141.2 25.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -66.49 -43.82 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.1 mmt -95.71 158.07 15.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 18.6 pttp -71.4 -46.35 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.473 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.3 p-80 -63.06 -32.22 73.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -61.04 -26.79 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 37.1 tp -82.38 -41.95 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.88 -50.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.32 -12.59 3.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.504 ' CE1' HD11 ' A' ' 59' ' ' ILE . 11.7 t60 -108.44 -38.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -57.44 -27.2 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -60.67 -9.48 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.504 HD11 ' CE1' ' A' ' 56' ' ' HIS . 3.5 pt -86.38 -17.53 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 42' ' ' VAL . 85.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 9.8 m-85 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 68' ' ' CYS . 28.0 tt0 -152.88 133.8 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 6.0 t -58.86 169.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.91 -32.6 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.3 mp -77.94 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.0 p -82.79 -20.52 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 73.25 25.83 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -63.32 167.67 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -126.74 135.88 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -126.3 165.68 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.6 ttp -115.39 17.19 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -151.16 133.87 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 18.7 tpt180 -58.57 -46.45 86.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -53.2 -53.72 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -59.68 -42.39 92.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 21.4 t80 -50.81 -60.04 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -65.85 -44.35 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -51.6 -32.66 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -90.37 -56.84 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 81' ' ' PHE . 24.6 t -48.41 -48.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 87' ' ' SER . 1.1 t -46.39 -30.29 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 86' ' ' THR . 13.1 m -95.37 -45.53 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.68 -17.59 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.2 m -91.11 -49.82 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 14.8 mtpt -36.03 -61.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.4 m -55.96 -50.36 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.1 t80 -49.89 -59.06 4.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.7 0.762 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 136.59 33.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.2 t -93.4 163.77 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -52.42 -46.73 66.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.0 p -59.41 -30.26 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.66 -23.62 4.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.76 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.8 m -157.91 122.92 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 7.3 m-85 -113.59 146.67 39.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -63.11 -32.45 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -108.84 161.7 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -80.41 -36.35 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -62.99 -41.64 99.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.18 -35.5 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 5.7 tmm_? -76.04 -30.71 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -56.14 -25.94 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -93.54 -7.69 43.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 mtp -85.87 -55.03 4.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 m -56.73 -44.31 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.3 ptm -41.72 -33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.53 2.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.9 t -128.81 -45.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.2 -37.04 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 31.96 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 17.6 mttp -98.21 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 71.9 mttt -158.02 155.29 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 6.6 m-85 -149.55 146.38 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -73.95 -39.29 63.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.447 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 14.1 mmt -98.47 146.79 25.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -64.98 -31.64 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.456 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 3.0 p-80 -77.22 -33.91 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -62.15 -25.82 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.9 tp -82.99 -37.77 23.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' HIS . 22.8 t -56.21 -62.68 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.84 -25.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 20.9 t60 -93.62 -44.05 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.65 -27.44 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -58.16 -12.54 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.8 pt -83.54 -18.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG13 ' A' ' 42' ' ' VAL . 79.9 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 6.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -161.0 142.14 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 t -64.75 175.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 7.6 p-10 -112.09 -32.43 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 69' ' ' ASN . 5.4 mp -83.09 -63.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.74 -0.83 57.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 50.21 29.74 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -67.52 162.31 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -116.78 137.18 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -132.08 155.98 47.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.7 ttp -100.33 -45.44 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -85.29 135.81 33.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 66' ' ' TYR . 13.5 tpt180 -64.12 -49.13 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.69 -40.49 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -71.89 -44.98 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 85' ' ' VAL . 8.5 t80 -50.73 -57.49 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.459 ' CE1' ' HE ' ' A' ' 78' ' ' ARG . 5.5 m170 -67.49 -41.0 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -51.66 -49.62 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -72.27 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 58.0 t -42.91 -42.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -48.02 -46.95 33.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.9 t -81.81 -49.87 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.9 t -42.23 -30.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 7.5 m -81.29 -46.3 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 20.7 mmmt -34.4 -57.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.1 m -57.06 -52.22 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.51 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.651 0.739 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.29 25.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.606 2.204 . . . . 0.0 112.362 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -111.68 152.48 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -47.07 -47.65 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -55.28 -29.73 58.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.32 10.85 14.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -91.37 179.78 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -142.92 115.2 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.98 173.67 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -93.44 -27.04 16.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -114.36 158.54 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -72.32 -52.93 13.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 t -51.58 -45.51 63.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.29 -46.06 76.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -70.02 -39.72 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -61.64 -52.65 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 7.3 ptp180 -57.57 -34.93 69.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 4.0 t-80 -67.76 -39.05 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -62.8 -46.72 86.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 m -55.47 -43.38 75.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 28.3 mtm -49.23 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' MET . 12.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.45 31.95 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' CG ' ' A' ' 60' ' ' HIS . 56.1 t -121.72 -41.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.5 p -120.59 -40.99 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.83 30.6 1.22 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -97.06 177.86 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mtmp? -147.58 163.42 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 10.4 m-85 -159.67 116.8 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -53.3 -34.11 56.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.8 mmt -102.55 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -89.06 -27.28 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 12.3 p-80 -82.42 -29.38 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 8.3 m170 -65.8 -25.73 67.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.624 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 21.6 tp -82.88 -41.18 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.91 -58.33 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.75 -21.85 0.64 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CE1' HD12 ' A' ' 59' ' ' ILE . 8.2 t60 -96.69 -44.13 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.431 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -50.26 -31.73 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -51.55 -30.15 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.503 HD12 ' CE1' ' A' ' 56' ' ' HIS . 3.8 pt -66.16 -35.88 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.518 ' CG ' HG12 ' A' ' 42' ' ' VAL . 71.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 8.6 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -160.78 129.76 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.78 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.82 -40.06 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.66 -59.95 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.69 -7.64 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.5 25.97 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -57.67 163.15 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.59 123.29 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.29 171.77 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 ttp -111.43 -48.86 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -81.05 137.14 36.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttp180 -62.75 -56.12 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -44.49 -58.01 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.9 m -59.28 -40.68 86.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.7 t80 -57.66 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -57.03 -42.43 80.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -52.52 -53.54 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.8 t60 -65.6 -54.37 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 81' ' ' PHE . 61.4 t -47.44 -44.58 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.8 m -50.86 -59.5 4.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -65.36 -35.21 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.8 t -54.47 -21.09 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' SER . 6.5 m -89.02 -49.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.6 OUTLIER -35.52 -33.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' THR . 3.1 m -85.9 -53.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.8 t80 -48.88 -45.22 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 16.7 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.651 0.739 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.39 35.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.54 152.62 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.07 -49.82 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 p -52.33 -31.5 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.94 8.31 13.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.81 174.4 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -137.08 113.2 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -94.17 175.26 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -95.29 -28.67 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -114.01 138.64 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 ttpp -54.43 -43.26 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 p -56.19 -60.66 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -45.24 -39.67 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.3 tmm_? -73.15 -35.73 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -68.64 -54.5 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -57.52 -32.59 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 9.8 t-80 -71.53 -33.85 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.436 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 20.9 mtp -65.72 -48.29 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.2 m -54.54 -41.04 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.8 mtm -49.81 -47.39 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 17.8 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.2 30.41 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG11 ' CG ' ' A' ' 60' ' ' HIS . 55.9 t -120.3 -44.55 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.1 p -114.67 -36.03 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.72 31.13 2.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 39.6 mttt -96.26 179.38 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.2 mttp -158.73 152.83 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.3 m-85 -146.47 145.68 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -73.85 -42.45 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.451 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 20.9 mmt -93.29 159.67 15.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -74.88 -47.34 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.477 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 1.4 p80 -69.57 -10.79 59.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 7.9 m170 -80.9 -23.54 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 tp -86.41 -42.03 13.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 t -52.27 -58.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.2 -23.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 59' ' ' ILE . 14.8 t60 -96.74 -43.65 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.5 -27.24 10.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -58.79 -11.01 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 56' ' ' HIS . 5.5 pt -86.35 -16.97 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CG ' HG11 ' A' ' 42' ' ' VAL . 91.1 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.426 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 32.8 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.339 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 7.0 tt0 -165.32 143.21 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.8 t -72.56 166.29 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -107.38 -25.96 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.14 -65.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -87.19 -12.79 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.58 33.09 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -71.41 165.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -119.7 139.58 52.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 6.3 m-85 -131.26 152.5 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 ttp -108.96 15.48 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -149.12 145.62 27.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -70.12 -56.78 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.01 -49.73 30.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.5 m -65.05 -44.57 88.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.502 ' CE1' HG21 ' A' ' 85' ' ' VAL . 9.9 t80 -51.81 -58.14 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -65.41 -42.05 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -49.28 -39.77 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 4.8 t60 -85.35 -61.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.502 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.3 t -38.92 -49.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -45.88 -56.07 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -68.69 -44.73 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.95 -32.23 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TYR . 3.1 m -78.74 -50.62 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 29.2 mtpt -35.83 -46.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -68.93 -43.14 75.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.7 t80 -58.14 -47.68 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 8.1 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.672 0.748 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.11 46.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.27 163.36 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.4 -46.98 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -58.24 -32.76 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.98 -20.23 5.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -60.18 -175.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -154.84 127.09 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.78 161.83 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 m -72.39 -32.26 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -116.12 164.04 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.57 -36.04 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 p -64.85 -34.12 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -74.53 -29.59 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.9 tmm_? -83.72 -31.43 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -64.66 -52.68 56.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -49.15 -29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' HE3' ' A' ' 31' ' ' MET . 2.0 t-80 -82.96 -24.42 33.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mtp -81.87 -37.43 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -69.92 -33.89 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 2.2 ptt? -69.6 -31.53 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 31' ' ' MET . 15.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.56 37.5 2.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -129.3 -45.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.1 p -112.71 -39.06 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 50.6 mttt -100.63 179.44 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 9.7 mtmp? -158.1 154.92 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 2.9 m-85 -143.88 140.76 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -66.91 -43.43 83.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mtt -97.3 155.48 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -60.98 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.41 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.4 OUTLIER -56.69 -14.99 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 14.4 m170 -77.18 -24.07 51.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 HD11 ' CE1' ' A' ' 47' ' ' PHE . 33.6 tp -86.36 -39.75 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' HIS . 15.2 t -52.99 -61.28 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 18.2 t60 -93.7 -43.24 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.55 -27.22 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -57.97 -14.58 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.521 HD11 ' CE1' ' A' ' 56' ' ' HIS . 6.7 pt -80.73 -17.93 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.505 ' CG ' HG13 ' A' ' 42' ' ' VAL . 76.8 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 1.8 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.1 t -61.29 168.95 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 2.1 p-10 -109.38 -24.74 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.4 -66.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -83.52 -13.39 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.56 34.41 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -77.16 164.36 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -113.24 128.71 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -134.27 105.97 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.55 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.9 ppp? -61.83 -32.82 73.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 32.9 m95 -82.38 127.42 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.429 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 23.3 ttm-85 -64.24 -44.91 90.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -56.56 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -62.04 -44.58 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 85' ' ' VAL . 16.2 t80 -50.86 -58.13 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.422 ' CE1' ' NH1' ' A' ' 78' ' ' ARG . 66.7 m80 -68.59 -41.38 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -57.96 -30.98 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.9 t60 -89.98 -54.4 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 81' ' ' PHE . 48.9 t -49.91 -44.87 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 87' ' ' SER . 1.2 t -49.75 -26.84 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 86' ' ' THR . 2.7 m -98.84 -47.42 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.96 -23.78 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . 19.5 m -87.47 -51.15 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' THR . 37.1 mttp -34.27 -49.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 m -68.86 -49.89 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -49.72 -55.2 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.4 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.644 0.735 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.218 . . . . 0.0 112.397 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 t -97.72 163.11 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -58.88 -38.15 78.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.5 p -69.22 -28.0 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.25 -24.38 5.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -61.42 176.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -141.64 133.51 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -117.42 136.96 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.4 m -55.86 -29.28 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -115.59 156.73 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.5 tttp -69.04 -59.77 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -43.09 -42.53 4.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.51 -35.83 74.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 26' ' ' ASP . 3.5 tmm_? -74.44 -41.94 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 9.1 t0 -61.09 -56.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -49.17 -34.47 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.422 ' CD2' ' HE3' ' A' ' 31' ' ' MET . 11.1 t-80 -72.56 -34.03 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.423 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 32.0 mtp -67.53 -41.83 83.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -56.75 -35.69 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.422 ' HE3' ' CD2' ' A' ' 28' ' ' HIS . 34.6 mtm -62.56 -39.19 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.0 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.54 34.02 2.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.513 HG11 ' CG ' ' A' ' 60' ' ' HIS . 48.3 t -123.91 -44.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 p -114.88 -40.1 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.05 31.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -98.28 -177.95 3.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.3 mtmm -156.91 159.4 38.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 13.4 m-85 -151.07 149.08 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -44.12 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 4.9 mmt -103.46 156.17 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -62.67 -46.25 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -60.97 -40.21 92.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 29.2 m170 -55.37 -30.02 59.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 47' ' ' PHE . 23.3 tp -82.91 -39.15 21.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.1 t -55.16 -62.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.15 -24.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' CE1' ' CD1' ' A' ' 59' ' ' ILE . 16.4 t60 -95.15 -43.47 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.68 -27.46 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -58.29 -11.35 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 5.9 pt -85.61 -17.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.513 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -166.74 141.66 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.0 171.5 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -109.2 -29.61 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.81 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.8 p -85.7 -5.24 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.71 29.74 14.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -67.17 163.71 19.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -114.63 136.4 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -126.94 142.76 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 ttt -87.71 -37.38 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -102.04 147.46 26.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.89 -50.23 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -50.51 -48.53 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -67.74 -34.92 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.448 ' CE1' ' CG2' ' A' ' 85' ' ' VAL . 6.3 t80 -57.72 -66.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -57.95 -44.0 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -46.36 -44.35 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -80.52 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.448 ' CG2' ' CE1' ' A' ' 81' ' ' PHE . 43.5 t -42.8 -42.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.26 -42.52 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.1 m -80.84 -47.91 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.08 -18.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 90.6 m -89.06 -51.96 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' THR . 41.0 mttt -33.98 -57.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -55.21 -47.84 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.4 t80 -58.47 -44.08 89.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 141.87 46.37 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.86 161.57 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -48.9 -44.45 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 20.2 p -65.04 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.52 -19.67 6.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -59.4 172.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -136.01 127.26 28.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 19.4 m-85 -113.36 144.01 43.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -63.37 -23.53 67.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.05 163.56 20.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.79 -41.9 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -60.62 -32.95 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.54 -34.29 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 25' ' ' ARG . 5.5 tmm_? -74.32 -39.59 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.1 -54.09 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -49.45 -30.91 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' ' HE2' ' A' ' 31' ' ' MET . 46.2 t-80 -79.54 -26.57 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.429 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 27.3 mtp -68.0 -48.24 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -49.3 -45.28 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.505 ' HE2' ' CD2' ' A' ' 28' ' ' HIS . 32.8 mtm -46.58 -46.1 19.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 20.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 32.65 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.496 HG12 ' CG ' ' A' ' 60' ' ' HIS . 56.5 t -122.37 -49.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 p -110.79 -36.93 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.36 31.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 1.5 mtpm? -95.71 -177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 73.7 mttt -161.16 149.74 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 6.9 m-85 -141.83 151.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -78.28 -43.24 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.574 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 6.5 mmt -96.5 155.52 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -70.01 -43.27 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 1.1 p80 -74.01 -7.23 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 6.8 m170 -86.04 -20.45 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD11 ' CE1' ' A' ' 47' ' ' PHE . 22.2 tp -90.24 -37.05 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.64 -60.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.9 -24.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.573 ' CE1' HD13 ' A' ' 59' ' ' ILE . 15.3 t60 -93.16 -43.88 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.49 -27.47 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -58.59 -10.89 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.573 HD13 ' CE1' ' A' ' 56' ' ' HIS . 6.2 pt -85.49 -17.71 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CG ' HG12 ' A' ' 42' ' ' VAL . 80.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 32.1 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.931 0.396 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -153.38 135.25 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 171.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.73 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.99 -67.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.23 -10.97 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 27.31 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -66.28 165.27 14.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 12.6 mtp-105 -115.93 140.65 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -134.9 119.97 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -64.29 -40.61 96.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.89 158.55 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 37.2 ttp85 -84.9 -52.65 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -44.98 -37.78 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -78.07 -33.08 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.453 ' CE1' HG22 ' A' ' 85' ' ' VAL . 30.2 t80 -59.03 -63.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -59.88 -40.62 89.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -53.02 -38.57 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 8.6 t60 -84.94 -66.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 21.6 t -34.68 -48.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -47.59 -46.23 28.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' HIS . 41.1 m -78.95 -37.14 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.8 t -61.15 -30.47 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.9 m -81.8 -48.37 11.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 8.1 mtpm? -36.03 -49.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -64.77 -53.69 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -50.22 -52.33 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.596 0.712 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.73 121.29 7.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -93.83 159.69 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -54.98 -47.29 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.7 p -58.26 -27.95 64.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.55 -23.19 6.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -62.82 173.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 m -142.54 125.07 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -108.72 145.93 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 m -70.81 -27.57 63.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -109.61 153.03 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -72.52 -40.9 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.3 m -58.42 -42.77 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -63.72 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.8 tmm_? -74.46 -38.87 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.52 -51.9 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -55.58 -30.53 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -85.23 -13.57 49.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.5 mtp -88.23 -41.8 12.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -69.91 -33.96 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 1.6 ppp? -63.88 -35.49 80.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 18.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.12 35.81 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.527 HG12 ' CG ' ' A' ' 60' ' ' HIS . 52.9 t -126.18 -45.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.49 -36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.63 32.17 1.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.4 mttp -98.14 179.53 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 74.0 mttt -160.24 151.86 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 4.9 m-85 -146.67 147.34 30.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -76.0 -38.53 57.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 46.4 mtt -94.15 150.34 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.29 -28.3 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.2 p-80 -81.77 -21.26 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.57 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 8.3 m170 -73.27 -33.59 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.68 -40.85 65.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' HIS . 11.6 t -54.89 -61.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.57 -24.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.46 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 22.1 t60 -94.57 -43.23 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.97 -26.94 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -56.65 -19.59 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.4 pt -78.69 -16.62 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.527 ' CG ' HG12 ' A' ' 42' ' ' VAL . 84.0 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -171.8 139.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.45 169.01 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.17 -27.57 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.32 -67.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 p -85.6 -7.68 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.68 25.8 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -66.26 157.06 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -115.19 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -123.11 149.15 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.437 ' CG ' ' CD1' ' A' ' 77' ' ' TRP . 22.4 ptm -91.47 -43.27 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.437 ' CD1' ' CG ' ' A' ' 76' ' ' MET . 82.6 m95 -81.9 162.28 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -90.64 -47.7 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.31 -48.07 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -64.02 -40.04 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -55.42 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -57.92 -37.37 73.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -56.96 -46.83 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.13 -58.82 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -44.74 -44.04 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -49.29 -43.35 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -50.01 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.0 t -44.49 -32.19 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.4 m -79.31 -46.29 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' THR . 5.0 mmmm -33.76 -50.97 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 t -68.64 -43.32 76.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 89' ' ' THR . 5.1 t80 -56.85 -53.53 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.712 0.768 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.74 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 t -86.4 159.77 19.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -56.75 -41.03 76.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -66.28 -30.82 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.99 -26.04 4.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.21 176.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -148.35 116.31 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.3 172.2 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -90.89 -26.13 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -120.21 155.65 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -67.96 -37.89 82.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -63.49 -43.64 96.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.7 -34.08 75.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.3 tmm_? -81.63 -33.6 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.01 -54.43 45.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.75 -32.7 31.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -82.0 -19.77 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 mtp -86.13 -31.36 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -71.27 -34.23 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ptm -67.27 -31.7 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.95 25.54 3.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.502 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.3 t -115.15 -42.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.0 p -117.73 -37.93 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.23 24.61 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 43.6 mttt -89.98 179.55 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.642 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 29.2 mttp -153.29 161.39 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.9 m-85 -157.9 144.3 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -76.11 -38.91 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.483 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 21.9 mmt -103.21 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.38 -51.43 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.483 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 8.5 p-80 -55.32 -39.21 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -55.79 -38.89 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' CD1' ' A' ' 47' ' ' PHE . 42.1 tp -74.11 -46.93 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.4 -55.79 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -48.41 -20.73 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 9.8 t60 -97.48 -46.49 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.72 -34.65 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -48.35 -28.84 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 60' ' ' HIS . 5.5 pt -66.19 -34.61 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.502 ' CG ' HG11 ' A' ' 42' ' ' VAL . 66.7 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.448 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 21.2 m-85 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -165.72 137.91 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.33 176.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.65 -40.32 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.1 mp -70.26 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -88.77 -8.24 54.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.47 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -68.01 165.52 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -124.33 133.34 53.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.54 127.91 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.587 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 17.2 ptm -74.56 -31.84 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 72.8 m95 -87.8 148.91 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -79.49 -71.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' ARG . 22.1 t0 -35.36 -50.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -63.35 -40.61 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 78' ' ' ARG . 10.0 t80 -58.38 -65.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -56.09 -47.24 78.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -49.87 -44.01 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.81 -59.75 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.409 ' CG2' ' CE1' ' A' ' 81' ' ' PHE . 45.7 t -41.3 -44.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.7 m -51.78 -54.36 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -68.47 -48.85 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.72 -40.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' LYS . 10.8 m -75.29 -49.29 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' THR . 48.3 mttm -36.47 -44.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -72.27 -44.92 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -55.38 -53.63 53.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 3.1 m-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.649 0.738 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 138.6 38.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 t -97.43 160.01 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.42 -42.51 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.88 -34.99 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.91 -19.32 4.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -63.88 -175.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.9 p -151.79 126.86 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.1 m-85 -115.73 157.41 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -83.62 -19.42 35.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -122.56 133.57 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -32.22 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -62.46 -25.91 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.38 -34.23 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.2 tmm_? -75.83 -33.41 60.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.57 -51.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -54.07 -34.05 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.533 ' CD2' ' HE3' ' A' ' 31' ' ' MET . 9.9 t-80 -75.96 -26.13 56.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.1 mtp -70.51 -52.96 18.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.5 p -46.04 -42.28 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.533 ' HE3' ' CD2' ' A' ' 28' ' ' HIS . 25.7 mtm -48.99 -47.42 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.05 35.84 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG13 ' CG ' ' A' ' 60' ' ' HIS . 60.0 t -126.09 -43.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.25 -37.78 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.03 1.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -97.69 -179.96 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.9 mttt -155.93 160.71 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.4 m-85 -152.23 155.22 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -73.84 -45.33 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.428 ' CB ' ' NE2' ' A' ' 51' ' ' HIS . 6.6 mmt -109.29 173.29 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -81.06 -28.97 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.6 p-80 -74.23 -25.71 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -75.63 -30.6 59.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.579 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 19.7 tp -83.16 -34.71 25.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.84 -60.55 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.71 -22.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.403 ' CE1' ' CD1' ' A' ' 59' ' ' ILE . 17.0 t60 -95.84 -39.5 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.09 -27.63 46.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -55.84 -26.18 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 3.2 pt -71.07 -17.86 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.514 ' CG ' HG13 ' A' ' 42' ' ' VAL . 81.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.886 0.374 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.35 149.06 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.33 173.78 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -109.1 -34.9 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -78.39 -63.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.4 p -89.21 -14.13 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.0 27.36 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -63.22 161.23 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -112.48 134.15 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -133.65 137.27 45.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.552 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 28.4 ptm -81.27 -43.37 19.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.552 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 40.2 m95 -77.33 169.36 18.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -99.19 -48.29 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.11 -49.21 74.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 m -61.37 -41.46 97.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 85' ' ' VAL . 12.2 t80 -56.06 -61.89 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.01 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -52.01 -52.84 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.3 t60 -63.99 -58.83 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 81' ' ' PHE . 53.9 t -45.43 -38.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.3 m -58.68 -54.69 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -73.37 -21.76 60.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.27 -13.24 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -89.02 -45.67 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.71 -43.07 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -68.17 -39.31 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.89 -48.78 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.429 ' CD2' ' HD3' ' A' ' 22' ' ' LYS . 8.2 m-85 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 121.713 0.768 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.5 Cg_endo -69.78 123.12 9.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.97 154.47 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -48.83 -48.81 41.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 22.0 p -58.34 -32.16 68.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.37 -21.81 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -63.91 162.1 14.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 p -132.21 121.39 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -102.38 165.84 10.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -91.03 -25.76 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -111.43 139.98 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 4.2 tppp? -60.27 -39.04 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -59.14 -48.89 79.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -56.26 -42.26 77.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 4.0 tmm_? -71.11 -39.99 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.62 -47.44 85.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.45 -41.04 96.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.8 -19.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mtp -71.76 -59.53 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.7 p -54.78 -40.36 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 mtp -45.01 -24.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 77.0 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 21.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.37 38.67 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG12 ' CG ' ' A' ' 60' ' ' HIS . 85.2 t -129.92 -46.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 p -113.58 -35.14 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.32 30.52 2.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -96.06 -178.2 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.651 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.8 mttm -156.08 164.29 38.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.4 m-85 -157.03 151.98 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -77.45 -44.35 29.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.486 ' CB ' ' CE1' ' A' ' 51' ' ' HIS . 7.6 mmt -98.9 151.99 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.13 -33.17 75.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CE1' ' CB ' ' A' ' 49' ' ' MET . 6.4 p80 -77.25 -26.32 52.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -67.49 -25.8 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 47' ' ' PHE . 28.2 tp -84.58 -39.13 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 t -53.8 -59.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.41 -24.03 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.482 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 9.8 t60 -94.07 -44.63 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -50.41 -29.67 10.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -54.18 -28.74 42.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 5.4 pt -64.55 -27.94 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.491 ' CG ' HG12 ' A' ' 42' ' ' VAL . 73.0 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 62.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.1 tm-20 -147.39 124.48 11.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 3.9 t -51.7 169.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -110.26 -32.36 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.36 -66.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 p -85.35 -13.43 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 33.38 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -75.06 160.52 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -111.43 141.2 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -133.83 153.91 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -47.58 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -92.0 140.22 29.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 21.4 ttt85 -66.97 -47.52 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -51.74 22.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 53.0 t80 -57.94 -61.78 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -58.29 -44.65 88.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -52.27 -41.77 63.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -78.53 -56.71 4.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.7 t -46.28 -42.3 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -50.06 -55.78 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' LYS . 1.3 t -72.36 -53.63 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' SER . 30.7 t -37.78 -34.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.1 m -83.35 -40.56 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 3.1 mmmp? -37.83 -46.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -44.61 29.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -51.02 -52.71 40.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 29.8 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.718 0.771 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.81 157.89 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -55.05 -41.93 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -63.27 -27.06 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.78 -18.39 8.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.06 177.59 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 p -144.36 120.32 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 49.9 m-85 -103.78 143.19 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -67.53 -23.15 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -118.54 148.94 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' NH2' ' A' ' 25' ' ' ARG . 29.6 tptt -65.79 -42.91 90.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -56.71 -53.05 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -53.13 -36.03 60.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -77.79 -35.92 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.45 -52.84 59.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -55.3 -30.57 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.18 -19.46 53.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 mmm -85.05 -37.0 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.1 m -70.75 -29.58 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -75.57 -31.6 60.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 14.4 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.08 34.87 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG13 ' CG ' ' A' ' 60' ' ' HIS . 51.6 t -124.99 -43.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.6 -37.14 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.93 31.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD3' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mtpp -96.55 178.81 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.655 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 8.4 mtmp? -158.57 158.57 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 8.3 m-85 -154.79 150.83 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -78.99 -41.63 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.421 ' HB2' ' ND1' ' A' ' 52' ' ' HIS . 21.4 mmt -94.11 148.61 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.0 -36.05 82.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.462 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.9 p-80 -74.1 -34.01 63.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' ND1' ' HB2' ' A' ' 49' ' ' MET . 37.0 m170 -60.83 -27.13 67.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.2 tp -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.0 t -53.1 -61.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA2' ' CD ' ' A' ' 58' ' ' LYS . . . -42.97 -22.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.574 ' CE1' HD11 ' A' ' 59' ' ' ILE . 22.1 t60 -94.89 -45.68 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.13 -25.7 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CD ' ' HA2' ' A' ' 55' ' ' GLY . 12.2 mtpt -58.58 -14.79 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.574 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.0 pt -82.69 -17.88 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CG ' HG13 ' A' ' 42' ' ' VAL . 85.6 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.51 ' CE1' ' HD2' ' A' ' 78' ' ' ARG . 16.2 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -157.1 138.08 13.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.32 173.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.9 -59.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -92.21 -10.47 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.35 28.25 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 169.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -125.55 131.87 52.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.97 151.46 49.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.9 ttp -98.56 -30.73 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -91.92 150.56 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.51 ' HD2' ' CE1' ' A' ' 66' ' ' TYR . 3.8 tpt180 -77.31 -52.78 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -50.84 -47.49 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -63.38 -47.71 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CG ' ' HB3' ' A' ' 66' ' ' TYR . 2.7 t80 -48.62 -53.59 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.82 -39.74 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -55.16 -40.49 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.3 t60 -77.93 -56.18 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 81' ' ' PHE . 42.2 t -49.29 -50.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 87' ' ' SER . 1.1 t -44.85 -29.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 86' ' ' THR . 11.9 m -98.45 -31.3 12.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.07 -11.12 46.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 m -86.52 -50.75 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -47.04 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -59.65 -39.56 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.06 -61.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.678 0.752 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.58 12.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.75 163.7 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.44 -38.92 81.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -69.37 -29.26 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.27 -25.38 4.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.27 173.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.2 p -138.6 133.96 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 73.1 m-85 -118.29 142.53 47.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.5 m -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -117.26 155.21 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ARG . 16.7 ttpt -67.44 -60.06 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -42.35 -43.54 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 4.1 tmm_? -79.43 -42.48 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.64 -53.98 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 10.1 ptm180 -55.68 -38.26 69.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 9.8 t-80 -67.89 -31.73 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.4 mtp -67.71 -48.76 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -51.68 -43.49 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.2 mtp -46.27 -51.69 14.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 29.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 38.11 2.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' CG ' ' A' ' 60' ' ' HIS . 73.9 t -130.01 -47.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.25 -37.33 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.87 32.19 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -100.73 177.09 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.618 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 55.9 mttt -156.63 157.22 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -145.93 152.84 40.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -79.8 -43.35 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.481 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 13.8 mmt -92.09 170.75 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -47.13 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.2 OUTLIER -71.66 -10.51 59.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 26.9 m170 -81.01 -24.47 37.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 47' ' ' PHE . 34.4 tp -86.16 -40.32 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.8 t -52.1 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -41.49 -22.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 26.3 t60 -97.96 -41.39 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.433 ' CE ' ' SG ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -55.66 -27.94 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -59.94 -10.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 56' ' ' HIS . 3.8 pt -86.18 -19.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.506 ' CG ' HG12 ' A' ' 42' ' ' VAL . 81.9 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -143.39 147.02 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.11 173.04 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.94 -33.39 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.52 -62.78 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.9 p -91.32 -10.25 42.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.92 28.79 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -64.11 156.25 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 26.4 mtm105 -109.69 131.74 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.42 111.36 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 ppp? -62.49 -38.45 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' SD ' ' A' ' 76' ' ' MET . 11.4 m95 -75.48 174.4 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -103.59 -60.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -51.02 -49.24 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 m -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.06 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -60.41 -36.44 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -55.45 -40.43 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.2 t60 -77.67 -65.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 63.3 t -37.51 -44.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.3 m -48.0 -47.83 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' THR . 19.2 m -80.67 -51.43 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.78 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.9 m -89.82 -49.06 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' THR . 6.9 mtmp? -34.67 -46.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -73.34 -48.47 34.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -50.68 -50.25 55.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.524 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 4.0 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.72 33.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.94 162.7 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -52.38 -43.03 64.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -65.78 -30.41 71.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.54 6.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -61.57 172.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.7 p -134.63 126.48 29.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -109.18 153.36 23.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -71.58 -22.81 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -126.17 162.7 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.33 -40.44 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -59.55 -31.9 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -75.08 -36.43 61.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -75.4 -30.84 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.4 -51.29 45.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -30.62 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.1 t-80 -81.37 -14.1 57.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.0 mtp -84.08 -44.72 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -67.82 -40.61 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 3.2 ppp? -56.74 -31.94 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 19.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.29 37.58 2.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 60' ' ' HIS . 47.7 t -128.88 -44.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.8 p -115.24 -36.97 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.75 30.46 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.484 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 28.4 mttp -97.0 179.92 4.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.631 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 24.0 mttp -158.05 156.14 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -146.57 150.4 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -78.59 -41.93 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mmt -95.66 165.17 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.58 -47.48 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.42 -3.02 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 18.8 m170 -87.47 -23.56 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.589 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 40.8 tp -88.01 -41.91 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.58 -57.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -45.81 -20.8 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.497 ' CE1' HD11 ' A' ' 59' ' ' ILE . 16.9 t60 -97.46 -44.18 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.61 -27.05 15.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 55' ' ' GLY . 13.5 ptmm? -57.0 -23.3 45.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 56' ' ' HIS . 4.4 pt -72.67 -30.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.517 ' CG ' HG12 ' A' ' 42' ' ' VAL . 80.9 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 9.4 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.4 tm-20 -148.3 125.87 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 4.3 t -53.81 172.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.97 -40.15 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 mp -70.92 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.2 p -84.63 -10.99 56.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.03 26.19 16.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -66.43 157.37 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -114.0 134.5 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -127.27 157.35 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.536 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.4 ptm -98.6 -38.36 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.536 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 85.5 m95 -92.93 143.87 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 9.2 tpt180 -70.07 -41.99 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 2.9 p-10 -58.19 -39.32 78.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.83 -45.75 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 66' ' ' TYR . 40.1 t80 -53.46 -59.82 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -64.5 -45.28 87.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 61.6 ttt-85 -53.93 -38.97 65.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.9 t60 -81.8 -58.96 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 81' ' ' PHE . 46.9 t -46.82 -50.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.5 HG21 ' N ' ' A' ' 87' ' ' SER . 2.5 t -43.49 -26.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.5 ' N ' HG21 ' A' ' 86' ' ' THR . 74.5 m -101.8 -40.77 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.9 -21.76 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.4 m -86.63 -51.08 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' THR . 19.8 mtpp -34.53 -56.5 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 m -62.04 -43.22 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 6.1 t80 -56.68 -55.32 35.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -67.18 -50.4 61.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -169.21 168.19 9.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.69 162.49 29.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -149.69 152.37 35.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -174.63 166.48 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 -124.0 3.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.416 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.07 129.03 12.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -98.24 130.9 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.95 -178.25 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.9 m-85 -132.03 111.49 14.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 148.0 64.35 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.734 2.289 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -114.18 162.71 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -52.43 -44.67 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.3 p -62.95 -31.83 73.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 -23.94 4.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.4 167.69 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 p -133.99 128.2 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.41 162.78 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 m -75.79 -32.36 59.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -116.6 163.4 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.578 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -77.05 -38.19 53.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -63.37 -34.05 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.82 -32.21 65.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.1 tmm_? -81.82 -31.91 31.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -66.11 -52.78 45.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -50.97 -31.53 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.27 -22.16 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 mtp -80.51 -45.65 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 p -63.38 -36.16 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -66.59 -36.0 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.9 m-70 -52.03 -54.08 34.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -44.56 166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.64 115.65 4.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.78 -57.81 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -131.4 148.34 69.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.8 -21.71 32.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 47.9 m-85 -109.99 124.1 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.1 133.34 6.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 t -79.52 105.4 10.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.25 33.22 2.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.493 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -123.23 -43.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -115.99 -38.15 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.2 31.23 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mttm -98.87 176.56 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 17.5 mtpt -155.37 155.94 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.3 m-85 -147.81 144.77 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -68.52 -45.37 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.86 165.1 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -78.65 -36.35 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -71.81 -27.92 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 17.6 m170 -69.29 -25.13 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 47' ' ' PHE . 25.4 tp -83.89 -39.98 19.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.13 -50.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.55 -12.44 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 59' ' ' ILE . 13.7 t60 -107.76 -38.61 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.88 -25.71 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -8.58 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 56' ' ' HIS . 3.9 pt -88.28 -18.99 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.493 ' CG ' HG13 ' A' ' 42' ' ' VAL . 83.1 m-70 -106.02 -33.7 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' HIS . 22.3 p -36.71 149.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.53 139.03 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.4 mt -72.52 144.53 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 74' ' ' ARG . 1.4 mptp? -106.48 95.2 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -25.39 28.81 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.284 . . . . 0.0 112.362 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.471 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 4.1 m-85 -104.98 127.72 52.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -137.15 143.62 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.97 176.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.05 -36.4 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.26 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.34 -7.51 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.04 29.92 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -66.72 157.34 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 64' ' ' LYS . 39.0 mtp85 -110.2 136.42 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -140.01 131.4 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.546 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.0 ptm -80.21 -38.68 30.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.546 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 46.5 m95 -80.19 153.87 28.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -85.11 -57.92 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 5.3 m-20 -46.53 -48.1 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -68.96 -39.78 79.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 66' ' ' TYR . 10.7 t80 -55.92 -58.71 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -68.9 -42.2 77.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 27.6 ttm-85 -52.91 -38.47 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -78.91 -58.66 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 87.6 t -47.04 -41.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -48.96 -46.91 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -81.64 -47.35 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.16 -31.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . 86.6 m -86.3 -44.79 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' THR . 4.8 mmmm -34.52 -51.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 m -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.5 t80 -52.02 -41.98 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -57.82 -46.21 85.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.78 55.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.53 -34.08 41.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -38.71 -43.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 37.85 39.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -46.95 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -133.85 40.96 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -119.4 94.91 4.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.3 t -73.98 132.92 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.4 m -84.88 90.16 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 133.03 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.05 161.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.5 t -97.32 161.31 13.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.92 128.39 8.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.449 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 179.01 3.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.8 m -131.48 121.43 24.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 p -83.0 0.94 42.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -114.12 -51.73 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -167.78 170.86 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.63 126.42 8.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 p -61.97 -57.06 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -166.67 152.23 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.3 170.08 17.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.53 167.92 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -143.62 157.13 44.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.47 176.47 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -123.16 122.93 26.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.676 0.75 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.24 9.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.74 158.56 15.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -56.22 -41.88 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.56 -28.84 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.09 -27.0 5.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -64.16 167.84 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.3 m -135.33 124.54 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -105.19 148.96 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.4 m -74.36 -26.18 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -111.44 133.64 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.86 -36.31 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -62.06 -39.56 92.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.13 -31.03 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -76.76 -42.84 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -60.58 -53.15 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.514 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 5.4 ptm180 -54.67 -32.28 59.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.414 ' NE2' ' HE3' ' A' ' 31' ' ' MET . 2.2 t-80 -79.14 -26.32 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -81.63 -39.11 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -69.78 -35.79 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.414 ' HE3' ' NE2' ' A' ' 28' ' ' HIS . 4.9 ptt? -67.29 -31.38 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -53.91 -49.86 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.04 164.61 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.4 -41.37 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 4.7 mp -86.96 175.93 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 8.2 mpt_? -132.01 159.01 73.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 54.5 Cg_endo -69.67 -21.54 33.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 64.8 m-85 -104.81 101.1 10.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.09 136.63 12.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.39 103.97 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.38 38.71 2.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 60' ' ' HIS . 50.9 t -129.54 -45.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 17.1 p -114.35 -36.42 4.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 30.76 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 26.4 mttt -96.19 -179.28 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 31.7 mtmm -157.16 158.03 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 10.3 m-85 -151.78 151.1 30.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -76.12 -44.61 37.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.521 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 8.6 mmt -99.41 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -67.7 -32.27 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -74.21 -33.88 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.52 -25.57 68.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -81.6 -42.8 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' HIS . 43.1 t -53.59 -61.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.59 -27.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.545 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 16.7 t60 -94.31 -40.54 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.54 -27.95 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -56.16 -19.16 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.529 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 5.9 pt -76.34 -19.35 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.2 m-70 -107.09 -40.77 5.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' HIS . 36.1 p -36.08 134.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -89.28 148.8 20.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 62' ' ' GLY . 5.4 mp -35.45 132.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.0 mppt? -104.13 94.85 7.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 53.4 Cg_endo -69.82 -0.48 7.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.348 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 26.9 m-85 -130.27 143.35 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -148.25 147.91 29.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.48 174.02 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -109.69 -39.63 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.51 -63.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.4 p -89.27 -13.06 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.44 29.34 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -65.68 157.86 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -113.29 132.95 55.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -129.1 126.88 40.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.37 -42.74 82.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -94.54 134.87 36.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttm180 -60.79 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ARG . 30.1 t0 -37.77 -44.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -38.36 73.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 85' ' ' VAL . 3.0 t80 -57.32 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -57.13 -43.21 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -55.38 -47.68 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.8 t60 -69.85 -64.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 81' ' ' PHE . 46.6 t -39.32 -51.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -44.22 -41.1 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 m -85.2 -41.85 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.5 t -57.29 -23.72 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' LYS . 59.7 m -81.8 -50.57 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 32.8 mtpt -34.69 -46.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -66.22 -50.02 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.8 t80 -56.18 -43.77 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.86 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -40.44 152.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 98' ' ' GLU . . . 69.14 32.73 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 97' ' ' ALA . 22.1 mm-40 30.3 53.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLU . 8.5 tt0 35.97 54.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' C ' HG21 ' A' ' 101' ' ' THR . 54.3 t30 -80.28 89.7 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.408 HG21 ' C ' ' A' ' 100' ' ' ASN . 73.8 p -145.48 164.79 30.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.0 m -82.84 46.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -150.7 158.05 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.4 163.81 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -172.47 141.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.67 136.32 24.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -177.66 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 t -146.77 147.69 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 m -159.95 161.0 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.501 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -174.95 176.83 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -170.28 158.44 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.89 175.49 26.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -174.66 128.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -150.5 178.17 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.97 112.66 1.02 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -38.97 136.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -104.8 142.36 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 4.6 mt -148.85 167.08 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.3 m-85 -110.73 114.17 54.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -94.6 161.72 14.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -60.33 -39.02 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 26.8 p -67.36 -31.0 70.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.78 -30.74 3.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.22 160.86 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -133.36 130.81 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 6.5 m-85 -106.33 171.67 7.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.3 m -84.15 -34.34 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -109.85 167.2 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.7 ttpp -79.58 -38.63 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.9 m -62.57 -48.53 79.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.84 -38.42 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.2 tmm_? -76.46 -38.68 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -59.41 -54.62 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -52.43 -32.13 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -77.1 -36.81 55.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.432 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 18.7 mtp -64.74 -47.87 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 p -49.11 -37.65 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.0 mtm -52.86 -40.73 63.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 10.1 m-70 -69.43 -39.53 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.95 -177.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.54 -165.62 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 5.4 mt -119.75 77.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 6.3 mpt_? -145.01 144.64 24.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.72 -22.8 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.563 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 53.9 m-85 -107.73 143.26 36.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.52 128.14 2.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 t -77.08 105.51 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.0 33.94 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 60' ' ' HIS . 46.2 t -125.52 -44.28 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.6 p -114.81 -39.15 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.31 31.03 1.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 31.8 mttt -98.74 176.46 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.607 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.5 mttt -153.84 156.2 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.6 m-85 -145.28 148.56 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -44.95 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.525 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 15.9 mmt -100.56 167.55 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.85 -49.79 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.7 OUTLIER -62.4 -35.1 78.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 64.7 m170 -57.75 -30.14 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 47' ' ' PHE . 14.2 tp -83.98 -37.22 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 t -52.8 -60.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.67 -26.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.58 ' CE1' HD13 ' A' ' 59' ' ' ILE . 14.8 t60 -92.43 -40.81 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -56.55 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -58.64 -16.01 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 56' ' ' HIS . 3.8 pt -84.3 -15.18 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 -110.66 20.81 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.6 p -128.65 137.24 51.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.5 142.68 17.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.57 130.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.392 . . . . 0.0 111.073 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -102.15 97.7 8.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.948 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.51 3.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 31.1 m-85 -137.42 135.01 36.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -144.42 135.14 24.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.35 173.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 1.5 p-10 -111.28 -30.74 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.409 HD11 ' CG ' ' A' ' 69' ' ' ASN . 5.4 mp -82.85 -65.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.97 -10.97 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.4 28.73 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 84' ' ' HIS . 16.9 mtmt -72.13 156.71 38.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -113.01 139.79 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -134.05 119.21 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.0 ttp -59.94 -43.25 95.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -81.69 153.16 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -78.47 -53.77 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -36.0 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.9 p -66.66 -28.58 68.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.554 ' CE1' HG23 ' A' ' 85' ' ' VAL . 23.2 t80 -70.77 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -60.24 -44.27 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -50.85 -44.59 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 73' ' ' LYS . 2.0 t60 -80.17 -57.91 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 81' ' ' PHE . 61.5 t -44.05 -50.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -42.17 -42.27 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -83.47 -54.06 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.1 t -38.59 -35.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.0 m -82.12 -45.68 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' THR . 2.9 mmmm -33.97 -55.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -68.29 -41.3 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.3 t80 -53.99 -51.54 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -53.42 -46.47 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.35 -45.17 54.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.26 -62.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -40.38 -48.01 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.72 47.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.95 -45.52 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -55.43 -46.38 76.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.87 98.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.3 t -63.18 144.19 57.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 103' ' ' GLU . 21.9 m -98.33 152.87 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' N ' HG22 ' A' ' 102' ' ' THR . 3.8 pm0 -35.65 146.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.9 152.22 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -106.8 165.43 11.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.1 175.52 19.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.2 p -85.54 153.56 22.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.6 m -132.21 171.67 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.502 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 p -169.21 115.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -170.4 140.78 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.06 -171.11 38.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -107.1 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -131.18 -42.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.2 -146.63 17.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.8 125.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 133.4 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -143.08 161.43 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.2 m-85 -123.2 121.81 26.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.79 125.85 12.6 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 t -96.61 158.99 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -53.99 -47.03 71.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 p -59.39 -27.53 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.18 -26.32 5.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -60.57 174.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 m -142.52 129.49 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -112.4 142.69 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -65.02 -26.51 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -112.72 149.37 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 16.2 tptm -69.33 -38.87 78.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -61.72 -41.72 98.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -62.79 -32.08 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -80.9 -31.94 34.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.51 -55.02 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.51 -32.04 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' A' ' 31' ' ' MET . 13.8 t-80 -74.03 -33.71 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.95 -48.62 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 p -51.59 -43.66 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 28' ' ' HIS . 39.3 mtm -48.06 -52.78 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 25.7 m-70 -45.7 -43.79 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.1 mt -81.48 174.61 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.5 73.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 mp -128.21 94.96 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -104.11 126.18 32.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.2 Cg_endo -69.79 -19.93 35.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 44.1 m-85 -98.58 113.48 25.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.85 136.52 8.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 t -82.67 105.84 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.16 29.42 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -118.85 -42.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.151 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.97 -36.73 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.2 31.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 22.0 mttp -97.89 178.67 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 62.8 mttm -158.55 152.62 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.2 m-85 -145.59 148.21 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -72.14 -44.03 63.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.484 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 16.6 mtt -95.44 160.51 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 16.8 pttm -70.53 -49.29 49.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.513 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 8.9 p-80 -63.24 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.459 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 11.0 m170 -58.75 -25.22 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 29.6 tp -88.17 -38.73 15.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.31 -59.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.35 -19.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.555 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 15.8 t60 -100.6 -36.79 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.476 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.35 -27.49 64.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -56.18 -26.33 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 56' ' ' HIS . 2.4 pt -70.82 -16.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CG ' HG13 ' A' ' 42' ' ' VAL . 75.6 m-70 -108.91 10.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.1 p -116.74 110.94 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.56 174.48 33.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 64' ' ' LYS . 47.9 mm -109.39 137.84 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 63' ' ' ILE . 38.2 mttt -95.7 120.82 62.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 54.0 Cg_endo -69.74 -11.01 29.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.531 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 44.6 m-85 -116.29 160.27 20.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 9.0 tt0 -172.0 141.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.5 t -73.54 172.56 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 -41.5 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.56 -65.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -85.96 -8.3 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.29 26.39 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -64.23 167.65 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 64' ' ' LYS . 44.0 mtp180 -125.82 139.9 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -139.78 136.91 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.496 ' HE1' ' CE2' ' A' ' 77' ' ' TRP . 26.2 ttp -82.28 -43.58 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.496 ' CE2' ' HE1' ' A' ' 76' ' ' MET . 47.1 m95 -82.94 149.35 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -77.98 -56.16 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -42.17 -56.17 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -61.31 -37.35 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 44.8 t80 -61.84 -71.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -49.01 -38.85 24.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.61 -39.85 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -74.25 -60.6 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.439 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.8 t -42.55 -53.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.8 m -52.49 -47.78 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 t -86.27 30.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 t -126.15 -27.36 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -89.11 -12.7 40.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -58.11 -53.92 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -72.66 -49.71 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 1.9 t80 -41.19 -49.47 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.0 -39.43 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.43 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.72 97.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -42.47 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.47 63.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -98.59 -41.37 7.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -78.62 -44.3 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 101' ' ' THR . 8.1 t30 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 100' ' ' ASN . 22.0 m -34.28 140.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' THR . 43.6 p -35.79 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -148.08 -177.08 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.51 137.68 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 92.6 p -162.11 170.88 18.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -177.34 135.4 2.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.85 6.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -166.38 148.55 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.0 t -161.94 164.98 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -174.87 146.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -169.05 157.98 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.02 162.47 29.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -133.54 154.96 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -156.85 136.65 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.98 -164.36 22.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -143.22 149.58 38.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -132.95 155.26 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -140.88 176.69 8.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.0 m-85 -115.21 116.48 42.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.706 0.765 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.8 122.54 9.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.3 t -92.43 158.71 15.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -55.66 -45.67 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 29.5 p -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.62 -24.84 4.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.37 161.39 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.5 m -134.39 127.83 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 22.8 m-85 -108.55 159.75 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.9 m -82.91 -22.81 33.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.16 142.43 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.8 tppt? -59.52 -36.94 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -64.29 -53.93 41.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.86 -31.53 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 4.2 tmm_? -79.03 -36.44 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.534 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -64.34 -54.65 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 10.7 ptm180 -51.12 -31.2 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' NE2' ' HE3' ' A' ' 31' ' ' MET . 5.1 t-80 -81.89 -19.66 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mmm -86.96 -35.39 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.8 p -70.61 -29.97 66.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 6.4 ptt? -71.78 -31.87 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.3 m-70 -56.19 -47.5 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.03 176.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -37.89 157.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.36 -174.97 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -112.57 139.06 22.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.4 Cg_endo -69.72 -17.71 37.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.532 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 68.8 m-85 -99.01 116.36 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.81 116.25 1.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 t -65.63 107.37 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.62 29.87 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG13 ' CG ' ' A' ' 60' ' ' HIS . 43.0 t -120.68 -43.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.49 -38.52 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.57 30.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 6.5 mtpt -95.99 -176.21 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.606 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 54.1 mttm -160.6 161.07 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 9.7 m-85 -152.14 151.07 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -70.51 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.537 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.7 mmt -104.72 164.93 11.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 14.3 ptpt -69.69 -49.07 57.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -55.31 -38.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -60.62 -31.76 70.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' A' ' 47' ' ' PHE . 38.2 tp -78.12 -41.58 34.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.9 t -53.19 -61.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.81 -23.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.546 ' CE1' HD11 ' A' ' 59' ' ' ILE . 13.0 t60 -95.03 -43.35 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.76 -26.89 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.32 -14.77 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.546 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.6 pt -81.09 -17.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' CG ' HG13 ' A' ' 42' ' ' VAL . 76.1 m-70 -111.58 -52.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -56.68 -176.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.62 54.03 2.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.4 117.94 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 132.59 21.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -44.58 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -138.93 173.97 11.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -162.49 142.52 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.95 174.1 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -108.88 -37.57 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.3 mp -77.84 -66.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.45 -14.31 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.06 26.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -63.94 155.17 31.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -109.43 136.18 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 81' ' ' PHE . 4.8 m-85 -118.68 -174.95 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -117.48 -32.66 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -127.53 144.75 51.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.66 -55.94 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 27.3 t0 -44.39 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -40.83 80.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 85' ' ' VAL . 3.1 t80 -61.9 -61.36 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -61.3 -39.13 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 24.1 ttm180 -53.16 -33.67 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.61 -50.14 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 81' ' ' PHE . 21.5 t -51.49 -40.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 87' ' ' SER . 1.1 t -50.61 -27.51 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' HG23 ' A' ' 86' ' ' THR . 17.2 t -102.3 -43.31 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.5 t -53.59 -19.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 14.0 m -90.87 -45.47 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 7.2 mtpm? -35.75 -57.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -57.42 -46.85 83.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -56.37 -39.27 72.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.34 -33.02 74.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.25 -26.42 47.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.93 -61.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -47.73 166.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.27 38.03 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -58.93 -48.37 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -77.53 -45.05 26.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -51.0 -47.56 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -102.47 143.52 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -59.29 85.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -134.98 102.45 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.83 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.8 p -116.06 -175.21 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.41 ' C ' ' H ' ' A' ' 108' ' ' SER . . . -166.44 -64.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' O ' ' C ' ' A' ' 108' ' ' SER . 54.0 Cg_endo -69.78 7.9 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 107' ' ' PRO . 88.7 p -28.35 131.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 t -130.46 129.5 43.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.53 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -174.78 141.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -172.22 176.7 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.38 148.53 5.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -167.17 175.71 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -136.13 162.61 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.16 168.87 33.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -170.56 126.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.81 141.4 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 8.3 mt -151.16 170.31 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.99 125.91 22.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.673 0.749 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -91.06 163.65 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.4 p -63.84 -26.39 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.88 -20.98 7.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -62.34 168.95 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -135.13 126.58 28.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.43 148.49 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -74.13 -26.62 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -109.98 146.55 35.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -66.26 -43.3 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -57.88 -46.92 84.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -55.53 -39.84 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.7 tmm_? -73.04 -40.8 64.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.24 -52.93 63.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -56.49 -30.45 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -83.52 -13.43 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -87.94 -43.47 11.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 t -67.34 -36.18 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -36.95 80.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 28.4 m-70 -56.25 -53.69 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -45.33 170.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.31 -170.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -83.1 -179.31 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.81 156.5 35.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.72 -19.72 35.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.541 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 52.8 m-85 -100.89 103.66 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.12 140.49 12.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.8 t -87.21 105.04 16.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 24.66 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG12 ' CG ' ' A' ' 60' ' ' HIS . 60.5 t -112.57 -43.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.93 0.395 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 p -116.16 -36.82 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.47 31.41 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.8 mttp -97.0 -179.67 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.5 mttm -158.04 155.79 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 3.8 m-85 -149.98 158.11 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -85.39 -43.32 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.447 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 24.0 mmt -96.33 156.27 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -71.39 -30.77 66.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 4.3 p-80 -78.4 -30.82 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' A' ' 47' ' ' PHE . 31.2 tp -82.88 -40.07 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' HIS . 23.6 t -54.52 -61.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.56 -22.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 17.2 t60 -95.97 -44.96 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.7 -26.4 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.87 -12.55 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 56' ' ' HIS . 6.0 pt -84.04 -16.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG12 ' A' ' 42' ' ' VAL . 84.2 m-70 -107.38 -29.83 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -39.66 121.9 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.75 119.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.4 mp -54.58 118.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 26.9 mmtt -93.76 110.37 47.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 53.6 Cg_endo -69.72 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.29 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 20.1 m-85 -87.5 160.57 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.64 126.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -53.36 171.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -113.01 -34.94 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.42 -64.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.9 p -84.86 -10.81 56.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.45 31.37 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -76.65 161.07 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 85.3 mtt180 -115.62 151.19 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 74' ' ' ARG . 63.3 m-85 -148.32 153.08 38.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 12.1 ptm -96.08 -22.55 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 79.6 m95 -95.02 156.36 16.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -89.68 -53.02 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -53.18 -52.53 58.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -60.11 -35.48 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -59.85 -65.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -55.74 -47.5 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.8 -40.93 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.1 t60 -66.8 -52.03 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 t -56.37 -34.09 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -51.23 -41.69 60.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 m -76.67 -31.55 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.9 m -87.34 -53.72 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' THR . 16.6 mtpp -34.4 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -84.59 -50.15 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -48.94 -41.41 33.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -52.62 -29.53 26.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -21.94 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.59 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -54.04 153.01 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.47 38.68 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -76.73 -42.88 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -104.95 42.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -72.3 157.36 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.1 m 51.65 38.46 22.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 m -121.71 123.33 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -93.04 74.23 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.59 169.87 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.4 p -85.72 106.01 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.61 137.53 13.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 178.08 4.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -141.59 155.21 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t 62.53 42.11 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -168.71 167.19 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -168.97 174.29 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 -170.72 26.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -168.25 177.38 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -174.77 173.49 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -78.07 -179.07 49.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -163.36 149.64 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -112.02 160.34 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.96 -178.43 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.1 m-85 -127.96 116.74 20.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.26 39.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.8 t -106.8 163.82 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -56.43 -42.21 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.38 -27.5 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.01 174.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -137.86 133.04 33.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 31.7 m-85 -116.02 144.18 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -61.76 -28.93 69.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -116.11 163.47 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -81.15 -38.35 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -65.75 -37.07 85.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 tmm_? -71.02 -37.56 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -67.47 -53.67 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.23 -31.68 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -78.38 -29.94 47.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.9 mtp -63.56 -44.23 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -57.17 -41.39 79.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.9 mtp -46.2 -48.46 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 17.7 m-70 -54.82 -28.82 52.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.47 45.61 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.76 162.07 54.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.15 45.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -140.18 111.4 7.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 41.0 m-85 -98.08 105.75 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.38 136.69 12.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.12 108.1 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 33.28 2.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 60' ' ' HIS . 58.8 t -123.92 -46.58 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.23 -36.56 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.34 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 40.2 mttt -96.77 -178.59 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 38.4 mtmt -159.35 153.95 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.2 m-85 -147.93 141.2 25.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -66.49 -43.82 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.1 mmt -95.71 158.07 15.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 18.6 pttp -71.4 -46.35 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.473 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.3 p-80 -63.06 -32.22 73.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -61.04 -26.79 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 37.1 tp -82.38 -41.95 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.88 -50.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.32 -12.59 3.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.504 ' CE1' HD11 ' A' ' 59' ' ' ILE . 11.7 t60 -108.44 -38.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -57.44 -27.2 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -60.67 -9.48 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.504 HD11 ' CE1' ' A' ' 56' ' ' HIS . 3.5 pt -86.38 -17.53 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 42' ' ' VAL . 85.4 m-70 -105.84 -38.91 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -40.46 151.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.04 168.08 13.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 64' ' ' LYS . 39.7 mm -67.09 141.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' N ' HG21 ' A' ' 63' ' ' ILE . 6.1 mptt -113.38 70.71 1.5 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.93 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -43.71 2.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 9.8 m-85 -119.41 148.93 42.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 68' ' ' CYS . 28.0 tt0 -152.88 133.8 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 6.0 t -58.86 169.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.91 -32.6 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.3 mp -77.94 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.0 p -82.79 -20.52 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 73.25 25.83 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -63.32 167.67 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -126.74 135.88 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -126.3 165.68 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.6 ttp -115.39 17.19 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -151.16 133.87 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 18.7 tpt180 -58.57 -46.45 86.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -53.2 -53.72 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -59.68 -42.39 92.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 21.4 t80 -50.81 -60.04 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -65.85 -44.35 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -51.6 -32.66 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -90.37 -56.84 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 81' ' ' PHE . 24.6 t -48.41 -48.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 87' ' ' SER . 1.1 t -46.39 -30.29 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 86' ' ' THR . 13.1 m -95.37 -45.53 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.68 -17.59 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.2 m -91.11 -49.82 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 14.8 mtpt -36.03 -61.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.4 m -55.96 -50.36 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.1 t80 -49.89 -59.06 4.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -43.52 -45.79 6.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.24 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -47.88 174.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.12 74.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -85.57 -43.5 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 21.7 pt20 -101.24 -45.79 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 99' ' ' GLN . 5.7 m-20 -53.51 139.2 31.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.0 m -74.01 -51.89 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.7 t -43.97 133.03 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.81 175.89 9.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.72 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.6 p -70.61 171.63 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.67 142.08 15.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -177.89 2.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.299 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.9 p -134.85 163.9 28.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -108.35 169.97 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.529 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -170.73 121.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -140.53 169.68 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.41 -174.59 13.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -154.16 129.25 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -172.09 175.55 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.15 -78.73 1.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.33 153.96 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 149.28 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -133.33 179.62 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 -127.59 99.22 27.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.7 0.762 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 136.59 33.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.2 t -93.4 163.77 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -52.42 -46.73 66.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.0 p -59.41 -30.26 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.66 -23.62 4.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.76 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.8 m -157.91 122.92 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 7.3 m-85 -113.59 146.67 39.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -63.11 -32.45 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -108.84 161.7 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -80.41 -36.35 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -62.99 -41.64 99.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.18 -35.5 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 5.7 tmm_? -76.04 -30.71 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -56.14 -25.94 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -93.54 -7.69 43.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 mtp -85.87 -55.03 4.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.9 m -56.73 -44.31 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.3 ptm -41.72 -33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m-70 -70.79 -49.85 42.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -65.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . 99.17 -95.24 1.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -123.23 -27.0 4.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' C ' ' A' ' 47' ' ' PHE . 41.1 mtt85 -107.31 100.48 33.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.68 -11.47 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 44.3 m-85 -106.93 149.36 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.94 145.18 11.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.5 t -91.26 103.55 16.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.53 2.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.9 t -128.81 -45.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.2 -37.04 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 31.96 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 17.6 mttp -98.21 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 71.9 mttt -158.02 155.29 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 6.6 m-85 -149.55 146.38 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -73.95 -39.29 63.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.447 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 14.1 mmt -98.47 146.79 25.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -64.98 -31.64 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.456 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 3.0 p-80 -77.22 -33.91 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -62.15 -25.82 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.9 tp -82.99 -37.77 23.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' HIS . 22.8 t -56.21 -62.68 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.84 -25.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 20.9 t60 -93.62 -44.05 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.65 -27.44 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -58.16 -12.54 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.8 pt -83.54 -18.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG13 ' A' ' 42' ' ' VAL . 79.9 m-70 -109.99 -42.76 4.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -64.95 115.84 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 167.71 34.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 64' ' ' LYS . 81.6 mt -104.09 137.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.3 mppt? -112.58 78.05 2.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.23 25.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.302 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 6.0 m-85 -116.15 158.76 22.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -161.0 142.14 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 t -64.75 175.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 7.6 p-10 -112.09 -32.43 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 69' ' ' ASN . 5.4 mp -83.09 -63.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.74 -0.83 57.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 50.21 29.74 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -67.52 162.31 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -116.78 137.18 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -132.08 155.98 47.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.7 ttp -100.33 -45.44 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -85.29 135.81 33.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 66' ' ' TYR . 13.5 tpt180 -64.12 -49.13 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.69 -40.49 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -71.89 -44.98 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 85' ' ' VAL . 8.5 t80 -50.73 -57.49 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.459 ' CE1' ' HE ' ' A' ' 78' ' ' ARG . 5.5 m170 -67.49 -41.0 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -51.66 -49.62 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -72.27 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 58.0 t -42.91 -42.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -48.02 -46.95 33.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.9 t -81.81 -49.87 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.9 t -42.23 -30.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 7.5 m -81.29 -46.3 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 20.7 mmmt -34.4 -57.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.1 m -57.06 -52.22 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.51 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.53 -43.68 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' GLU . . . -61.7 -47.78 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -74.43 166.43 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 99' ' ' GLN . . . 60.29 35.55 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 31.2 mt-10 -58.79 81.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' ALA . 34.5 mm-40 38.62 40.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -46.8 162.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 t -51.28 136.03 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.9 p -138.76 124.4 19.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 86.65 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.45 147.48 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -141.0 151.29 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.63 68.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.05 39.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.4 p -108.89 146.63 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -58.69 161.65 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.492 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -174.07 119.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -138.91 175.41 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.27 149.78 5.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -174.2 157.13 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 p -169.12 160.46 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 170.92 159.36 16.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.1 m-20 -163.33 174.62 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -159.96 160.12 33.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -145.08 177.08 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -125.81 119.9 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.651 0.739 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.29 25.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.606 2.204 . . . . 0.0 112.362 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -111.68 152.48 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -47.07 -47.65 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -55.28 -29.73 58.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.32 10.85 14.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -91.37 179.78 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -142.92 115.2 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.98 173.67 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -93.44 -27.04 16.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -114.36 158.54 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -72.32 -52.93 13.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 t -51.58 -45.51 63.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.29 -46.06 76.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -70.02 -39.72 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -61.64 -52.65 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 7.3 ptp180 -57.57 -34.93 69.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 4.0 t-80 -67.76 -39.05 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -62.8 -46.72 86.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 m -55.47 -43.38 75.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 28.3 mtm -49.23 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' MET . 12.8 m-70 -34.73 -45.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -67.18 75.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.35 58.04 0.1 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' CD2' ' HE2' ' A' ' 46' ' ' LYS . 19.6 mt -151.93 138.69 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.81 134.01 75.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 53.7 Cg_endo -69.79 -10.26 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 47' ' ' PHE . 20.4 m-85 -94.77 37.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.66 116.1 7.14 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 t -64.99 108.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.45 31.95 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' CG ' ' A' ' 60' ' ' HIS . 56.1 t -121.72 -41.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.5 p -120.59 -40.99 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.83 30.6 1.22 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -97.06 177.86 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mtmp? -147.58 163.42 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 10.4 m-85 -159.67 116.8 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -53.3 -34.11 56.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.8 mmt -102.55 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -89.06 -27.28 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 12.3 p-80 -82.42 -29.38 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 8.3 m170 -65.8 -25.73 67.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.624 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 21.6 tp -82.88 -41.18 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.91 -58.33 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.75 -21.85 0.64 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CE1' HD12 ' A' ' 59' ' ' ILE . 8.2 t60 -96.69 -44.13 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.431 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -50.26 -31.73 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 61' ' ' THR . 33.8 mttm -51.55 -30.15 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.503 HD12 ' CE1' ' A' ' 56' ' ' HIS . 3.8 pt -66.16 -35.88 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.518 ' CG ' HG12 ' A' ' 42' ' ' VAL . 71.2 m-70 -83.12 -58.08 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 58' ' ' LYS . 5.2 t -58.88 126.32 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.81 -106.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.88 114.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -109.61 77.53 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.93 5.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 8.6 m-85 -90.78 159.18 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -160.78 129.76 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.78 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.82 -40.06 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.66 -59.95 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.69 -7.64 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.5 25.97 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -57.67 163.15 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.59 123.29 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.29 171.77 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 ttp -111.43 -48.86 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -81.05 137.14 36.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttp180 -62.75 -56.12 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -44.49 -58.01 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.9 m -59.28 -40.68 86.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.7 t80 -57.66 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -57.03 -42.43 80.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -52.52 -53.54 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.8 t60 -65.6 -54.37 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 81' ' ' PHE . 61.4 t -47.44 -44.58 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.8 m -50.86 -59.5 4.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -65.36 -35.21 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.8 t -54.47 -21.09 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' SER . 6.5 m -89.02 -49.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.6 OUTLIER -35.52 -33.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' THR . 3.1 m -85.9 -53.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.8 t80 -48.88 -45.22 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -41.06 -43.28 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.47 87.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' TYR . . . -73.48 -35.47 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 97' ' ' ALA . 2.9 ttmp? -39.75 159.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' ' 96' ' ' LYS . . . -102.33 77.07 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -79.31 42.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 55.79 47.69 19.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -75.97 162.83 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.7 p -51.36 114.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.5 t -45.05 165.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 66.91 40.66 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.46 82.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLY . 12.4 t -170.4 148.83 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' SER . . . -36.58 146.72 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -46.56 1.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.2 p -170.95 139.85 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -125.69 149.27 48.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.485 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -164.73 120.39 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -104.35 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.42 -161.31 9.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -155.23 175.99 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -165.67 174.88 9.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.53 -36.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 69.18 38.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.02 163.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.84 170.63 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 16.7 m-85 -130.28 124.42 21.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.651 0.739 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.39 35.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.54 152.62 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.07 -49.82 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 p -52.33 -31.5 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.94 8.31 13.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.81 174.4 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -137.08 113.2 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -94.17 175.26 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -95.29 -28.67 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -114.01 138.64 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 ttpp -54.43 -43.26 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 p -56.19 -60.66 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -45.24 -39.67 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.3 tmm_? -73.15 -35.73 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -68.64 -54.5 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -57.52 -32.59 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 9.8 t-80 -71.53 -33.85 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.436 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 20.9 mtp -65.72 -48.29 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.2 m -54.54 -41.04 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.8 mtm -49.81 -47.39 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 17.8 m-70 -52.9 -57.5 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.93 -57.81 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.9 177.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.43 141.05 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -86.44 135.38 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.76 -22.74 31.66 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.488 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 58.7 m-85 -99.62 116.87 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.77 137.27 9.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 107.03 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.2 30.41 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG11 ' CG ' ' A' ' 60' ' ' HIS . 55.9 t -120.3 -44.55 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.1 p -114.67 -36.03 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.72 31.13 2.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 39.6 mttt -96.26 179.38 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.2 mttp -158.73 152.83 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.3 m-85 -146.47 145.68 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -73.85 -42.45 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.451 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 20.9 mmt -93.29 159.67 15.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -74.88 -47.34 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.477 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 1.4 p80 -69.57 -10.79 59.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 7.9 m170 -80.9 -23.54 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 tp -86.41 -42.03 13.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 t -52.27 -58.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.2 -23.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 59' ' ' ILE . 14.8 t60 -96.74 -43.65 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.5 -27.24 10.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -58.79 -11.01 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 56' ' ' HIS . 5.5 pt -86.35 -16.97 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CG ' HG11 ' A' ' 42' ' ' VAL . 91.1 m-70 -108.85 -35.3 6.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 39.4 p -37.66 120.29 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.12 172.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.72 126.51 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -83.9 121.72 75.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 54.0 Cg_endo -69.78 -29.12 24.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 32.8 m-85 -107.89 157.35 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 7.0 tt0 -165.32 143.21 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.8 t -72.56 166.29 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -107.38 -25.96 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.14 -65.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -87.19 -12.79 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.58 33.09 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -71.41 165.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -119.7 139.58 52.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 6.3 m-85 -131.26 152.5 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 ttp -108.96 15.48 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -149.12 145.62 27.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -70.12 -56.78 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.01 -49.73 30.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.5 m -65.05 -44.57 88.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.502 ' CE1' HG21 ' A' ' 85' ' ' VAL . 9.9 t80 -51.81 -58.14 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -65.41 -42.05 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -49.28 -39.77 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 4.8 t60 -85.35 -61.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.502 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.3 t -38.92 -49.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -45.88 -56.07 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -68.69 -44.73 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.95 -32.23 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TYR . 3.1 m -78.74 -50.62 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 29.2 mtpt -35.83 -46.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -68.93 -43.14 75.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.7 t80 -58.14 -47.68 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -69.76 -38.0 76.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.1 86.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.96 93.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -92.05 149.65 21.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.5 44.42 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -72.29 -44.45 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -46.01 -47.82 16.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.9 168.84 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.8 m -98.01 152.2 19.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 103' ' ' GLU . 8.5 t -39.43 134.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 102' ' ' THR . 22.3 mt-10 -36.77 127.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.86 170.11 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.7 t -47.21 -55.02 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 133.92 120.3 2.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -179.48 2.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -45.32 128.78 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -76.9 -50.59 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.504 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -169.89 164.95 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -174.09 177.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.77 176.24 39.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -149.63 175.4 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -152.78 176.38 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.99 136.43 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.71 175.86 5.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.356 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -163.41 156.55 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.9 -177.88 5.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 8.1 m-85 -131.34 103.15 15.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.748 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.11 46.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.27 163.36 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.4 -46.98 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -58.24 -32.76 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.98 -20.23 5.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -60.18 -175.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -154.84 127.09 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.78 161.83 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 m -72.39 -32.26 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -116.12 164.04 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.57 -36.04 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 p -64.85 -34.12 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -74.53 -29.59 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.9 tmm_? -83.72 -31.43 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -64.66 -52.68 56.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -49.15 -29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' NE2' ' HE3' ' A' ' 31' ' ' MET . 2.0 t-80 -82.96 -24.42 33.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mtp -81.87 -37.43 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -69.92 -33.89 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 2.2 ptt? -69.6 -31.53 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 31' ' ' MET . 15.6 m-70 -56.03 -44.48 78.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.02 105.16 3.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.34 150.13 8.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.8 mt -49.98 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -139.68 137.74 19.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.1 Cg_endo -69.82 -23.26 30.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.264 . . . . 0.0 112.285 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 67.1 m-85 -102.92 161.88 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.77 136.56 4.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -84.89 105.15 15.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.56 37.5 2.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -129.3 -45.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.1 p -112.71 -39.06 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 50.6 mttt -100.63 179.44 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 9.7 mtmp? -158.1 154.92 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 2.9 m-85 -143.88 140.76 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -66.91 -43.43 83.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mtt -97.3 155.48 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -66.83 -60.98 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.41 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.4 OUTLIER -56.69 -14.99 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 14.4 m170 -77.18 -24.07 51.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 HD11 ' CE1' ' A' ' 47' ' ' PHE . 33.6 tp -86.36 -39.75 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' HIS . 15.2 t -52.99 -61.28 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 18.2 t60 -93.7 -43.24 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.55 -27.22 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -57.97 -14.58 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.521 HD11 ' CE1' ' A' ' 56' ' ' HIS . 6.7 pt -80.73 -17.93 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.505 ' CG ' HG13 ' A' ' 42' ' ' VAL . 76.8 m-70 -111.52 -49.35 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.4 p -61.18 85.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.53 155.56 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.0 mt -128.83 122.07 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -102.6 109.29 60.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.51 10.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 1.8 m-85 -93.85 146.32 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.1 t -61.29 168.95 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 2.1 p-10 -109.38 -24.74 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.4 -66.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -83.52 -13.39 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.56 34.41 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -77.16 164.36 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HB3' ' CB ' ' A' ' 64' ' ' LYS . 55.4 mtt180 -113.24 128.71 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -134.27 105.97 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.55 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.9 ppp? -61.83 -32.82 73.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 32.9 m95 -82.38 127.42 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.429 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 23.3 ttm-85 -64.24 -44.91 90.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -56.56 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -62.04 -44.58 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 85' ' ' VAL . 16.2 t80 -50.86 -58.13 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.422 ' CE1' ' NH1' ' A' ' 78' ' ' ARG . 66.7 m80 -68.59 -41.38 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -57.96 -30.98 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.9 t60 -89.98 -54.4 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 81' ' ' PHE . 48.9 t -49.91 -44.87 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 87' ' ' SER . 1.2 t -49.75 -26.84 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 86' ' ' THR . 2.7 m -98.84 -47.42 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.96 -23.78 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . 19.5 m -87.47 -51.15 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' THR . 37.1 mttp -34.27 -49.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 m -68.86 -49.89 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -49.72 -55.2 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -60.8 -41.03 94.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.06 -51.26 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.85 56.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -51.24 -44.62 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.31 -17.94 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -84.68 -43.79 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 40.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -80.42 148.81 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 102' ' ' THR . 30.0 m -128.33 152.94 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 101' ' ' THR . 49.1 p -68.28 114.57 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.8 149.27 51.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -113.04 129.94 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.9 p -70.25 107.44 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -41.53 146.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.92 15.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.631 2.221 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 t -168.27 165.21 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.9 p -163.68 169.62 18.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.539 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -173.34 176.54 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -172.73 175.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.16 -166.07 16.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -174.55 154.22 2.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -160.43 163.91 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 166.66 39.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -158.65 125.07 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -85.16 161.75 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -142.05 161.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.4 m-85 -124.16 122.37 26.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.218 . . . . 0.0 112.397 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 t -97.72 163.11 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -58.88 -38.15 78.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.5 p -69.22 -28.0 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.25 -24.38 5.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -61.42 176.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -141.64 133.51 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -117.42 136.96 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.4 m -55.86 -29.28 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -115.59 156.73 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.5 tttp -69.04 -59.77 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -43.09 -42.53 4.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.51 -35.83 74.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 26' ' ' ASP . 3.5 tmm_? -74.44 -41.94 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 9.1 t0 -61.09 -56.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -49.17 -34.47 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.422 ' CD2' ' HE3' ' A' ' 31' ' ' MET . 11.1 t-80 -72.56 -34.03 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.423 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 32.0 mtp -67.53 -41.83 83.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -56.75 -35.69 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.422 ' HE3' ' CD2' ' A' ' 28' ' ' HIS . 34.6 mtm -62.56 -39.19 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.0 m-70 -54.83 -58.89 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.09 93.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' HIS . . . 149.58 45.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.35 169.75 13.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -86.36 151.3 53.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.843 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.5 Cg_endo -69.82 -23.24 30.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 59.7 m-85 -101.16 111.33 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.64 139.39 11.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -85.94 105.5 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.54 34.02 2.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.513 HG11 ' CG ' ' A' ' 60' ' ' HIS . 48.3 t -123.91 -44.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 p -114.88 -40.1 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.05 31.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -98.28 -177.95 3.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.3 mtmm -156.91 159.4 38.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 13.4 m-85 -151.07 149.08 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -44.12 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 4.9 mmt -103.46 156.17 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.67 -46.25 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -60.97 -40.21 92.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 29.2 m170 -55.37 -30.02 59.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 47' ' ' PHE . 23.3 tp -82.91 -39.15 21.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.1 t -55.16 -62.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.15 -24.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' CE1' ' CD1' ' A' ' 59' ' ' ILE . 16.4 t60 -95.15 -43.47 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.68 -27.46 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -58.29 -11.35 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 5.9 pt -85.61 -17.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.513 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 -107.75 -36.32 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.3 p -38.25 124.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.15 110.32 2.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLY . 6.2 mt -37.18 138.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 111.139 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 128.0 26.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.73 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -121.7 177.49 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -166.74 141.66 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.0 171.5 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -109.2 -29.61 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.81 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.8 p -85.7 -5.24 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.71 29.74 14.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -67.17 163.71 19.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -114.63 136.4 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -126.94 142.76 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 ttt -87.71 -37.38 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -102.04 147.46 26.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.89 -50.23 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -50.51 -48.53 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -67.74 -34.92 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.448 ' CE1' ' CG2' ' A' ' 85' ' ' VAL . 6.3 t80 -57.72 -66.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -57.95 -44.0 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -46.36 -44.35 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -80.52 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.448 ' CG2' ' CE1' ' A' ' 81' ' ' PHE . 43.5 t -42.8 -42.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.26 -42.52 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.1 m -80.84 -47.91 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.08 -18.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 90.6 m -89.06 -51.96 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' THR . 41.0 mttt -33.98 -57.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -55.21 -47.84 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.4 t80 -58.47 -44.08 89.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 36.8 mt-10 -55.57 -49.3 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.95 -26.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.93 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' GLU . 35.9 mtpt -52.15 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.22 75.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -50.41 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.74 64.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' THR . 1.2 t-20 -98.57 142.38 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.3 m -49.73 88.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' ASN . 7.2 t -128.49 130.75 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -46.32 112.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.41 144.31 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.1 t -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.01 140.45 10.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -175.73 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -166.93 138.59 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m -167.28 175.86 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.517 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 146.47 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -129.96 -55.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.07 173.95 19.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -165.42 156.75 14.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -140.78 117.54 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.87 150.55 9.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.1 166.28 30.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.5 160.02 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mt -144.09 176.69 9.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 -127.19 114.4 21.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 141.87 46.37 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.86 161.57 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -48.9 -44.45 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 20.2 p -65.04 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.52 -19.67 6.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -59.4 172.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -136.01 127.26 28.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 19.4 m-85 -113.36 144.01 43.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -63.37 -23.53 67.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.05 163.56 20.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.79 -41.9 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -60.62 -32.95 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.54 -34.29 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 25' ' ' ARG . 5.5 tmm_? -74.32 -39.59 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.1 -54.09 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -49.45 -30.91 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' ' HE2' ' A' ' 31' ' ' MET . 46.2 t-80 -79.54 -26.57 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.429 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 27.3 mtp -68.0 -48.24 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -49.3 -45.28 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.505 ' HE2' ' CD2' ' A' ' 28' ' ' HIS . 32.8 mtm -46.58 -46.1 19.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 20.9 m-70 -51.1 -30.53 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.22 112.02 21.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.86 70.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.69 107.94 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -114.6 116.12 43.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.83 -17.12 37.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 70.7 m-85 -102.34 118.82 37.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.91 145.03 16.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 t -90.26 108.01 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 32.65 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.496 HG12 ' CG ' ' A' ' 60' ' ' HIS . 56.5 t -122.37 -49.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 p -110.79 -36.93 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.36 31.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 1.5 mtpm? -95.71 -177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 73.7 mttt -161.16 149.74 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 6.9 m-85 -141.83 151.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -78.28 -43.24 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.574 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 6.5 mmt -96.5 155.52 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -70.01 -43.27 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 1.1 p80 -74.01 -7.23 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 6.8 m170 -86.04 -20.45 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD11 ' CE1' ' A' ' 47' ' ' PHE . 22.2 tp -90.24 -37.05 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.64 -60.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.9 -24.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.573 ' CE1' HD13 ' A' ' 59' ' ' ILE . 15.3 t60 -93.16 -43.88 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.49 -27.47 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -58.59 -10.89 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.573 HD13 ' CE1' ' A' ' 56' ' ' HIS . 6.2 pt -85.49 -17.71 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CG ' HG12 ' A' ' 42' ' ' VAL . 80.5 m-70 -110.08 -43.22 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.3 p -64.17 108.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.12 106.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.4 149.92 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -104.0 101.29 24.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.573 0.701 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -42.84 2.98 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 32.1 m-85 -151.55 153.06 33.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -153.38 135.25 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 171.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.73 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.99 -67.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.23 -10.97 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 27.31 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -66.28 165.27 14.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 12.6 mtp-105 -115.93 140.65 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -134.9 119.97 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -64.29 -40.61 96.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.89 158.55 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 37.2 ttp85 -84.9 -52.65 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -44.98 -37.78 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -78.07 -33.08 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.453 ' CE1' HG22 ' A' ' 85' ' ' VAL . 30.2 t80 -59.03 -63.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -59.88 -40.62 89.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -53.02 -38.57 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 8.6 t60 -84.94 -66.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 21.6 t -34.68 -48.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -47.59 -46.23 28.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' HIS . 41.1 m -78.95 -37.14 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.8 t -61.15 -30.47 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.9 m -81.8 -48.37 11.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 8.1 mtpm? -36.03 -49.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -64.77 -53.69 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -50.22 -52.33 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.49 -48.43 77.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.78 -40.86 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.25 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -48.74 161.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.15 43.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -42.93 -45.88 5.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -132.12 82.65 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -120.87 163.35 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 102' ' ' THR . 9.0 t -112.72 151.5 30.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.402 ' N ' ' HG1' ' A' ' 101' ' ' THR . 93.7 m -64.24 110.08 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -112.36 82.04 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.42 158.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.0 t -151.68 153.0 33.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.39 121.62 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.5 m -97.63 140.12 32.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.4 p -79.67 -53.39 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.48 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -173.26 166.62 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -174.53 177.78 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 160.0 31.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -158.52 153.71 25.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -125.38 179.45 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.71 177.33 36.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -119.85 174.87 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -96.54 155.98 16.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -145.42 166.69 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.62 120.8 21.99 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.712 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.73 121.29 7.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -93.83 159.69 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -54.98 -47.29 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.7 p -58.26 -27.95 64.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.55 -23.19 6.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -62.82 173.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 m -142.54 125.07 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -108.72 145.93 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 m -70.81 -27.57 63.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -109.61 153.03 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -72.52 -40.9 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.3 m -58.42 -42.77 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -63.72 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.8 tmm_? -74.46 -38.87 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.52 -51.9 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -55.58 -30.53 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -85.23 -13.57 49.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.5 mtp -88.23 -41.8 12.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -69.91 -33.96 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 1.6 ppp? -63.88 -35.49 80.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 18.9 m-70 -56.46 -53.56 55.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -54.48 133.27 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.85 -149.69 5.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 83.3 mt -132.35 153.35 50.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 1.7 mpt_? -137.94 150.51 67.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.67 0.747 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.0 Cg_endo -69.82 -21.6 32.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 48.2 m-85 -101.55 118.96 38.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.26 145.56 17.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -91.33 104.31 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.12 35.81 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG12 ' CG ' ' A' ' 60' ' ' HIS . 52.9 t -126.18 -45.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.49 -36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.63 32.17 1.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.4 mttp -98.14 179.53 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 74.0 mttt -160.24 151.86 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 4.9 m-85 -146.67 147.34 30.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -76.0 -38.53 57.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 46.4 mtt -94.15 150.34 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -73.29 -28.3 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.2 p-80 -81.77 -21.26 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.57 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 8.3 m170 -73.27 -33.59 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.68 -40.85 65.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' HIS . 11.6 t -54.89 -61.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.57 -24.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.46 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 22.1 t60 -94.57 -43.23 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.97 -26.94 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -56.65 -19.59 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.4 pt -78.69 -16.62 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' CG ' HG12 ' A' ' 42' ' ' VAL . 84.0 m-70 -109.82 18.14 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.7 p -122.67 76.23 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.28 -73.81 1.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 mt -47.13 143.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -160.76 132.9 4.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HB2' ' CD2' ' A' ' 66' ' ' TYR . 53.9 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.47 ' CD2' ' HB2' ' A' ' 65' ' ' PRO . 17.5 m-85 -133.94 174.05 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -171.8 139.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.45 169.01 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.17 -27.57 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.32 -67.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 p -85.6 -7.68 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.68 25.8 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -66.26 157.06 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -115.19 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -123.11 149.15 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.437 ' CG ' ' CD1' ' A' ' 77' ' ' TRP . 22.4 ptm -91.47 -43.27 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.437 ' CD1' ' CG ' ' A' ' 76' ' ' MET . 82.6 m95 -81.9 162.28 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -90.64 -47.7 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.31 -48.07 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -64.02 -40.04 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -55.42 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -57.92 -37.37 73.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -56.96 -46.83 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.13 -58.82 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -44.74 -44.04 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -49.29 -43.35 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -50.01 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.0 t -44.49 -32.19 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.4 m -79.31 -46.29 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' THR . 5.0 mmmm -33.76 -50.97 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 t -68.64 -43.32 76.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 89' ' ' THR . 5.1 t80 -56.85 -53.53 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.48 -45.83 92.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -42.68 -55.57 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.27 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -40.08 159.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.85 70.58 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -72.99 -47.94 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -111.09 41.96 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -84.85 42.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 75.2 p -103.54 146.14 28.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.3 p -51.35 167.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.87 173.34 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.71 174.65 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.3 p -117.24 98.87 6.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.63 111.39 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 175.76 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.378 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -49.44 110.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -63.71 169.47 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.494 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -168.43 172.8 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -174.71 169.52 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.13 176.32 47.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -163.71 175.13 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -168.61 175.13 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.36 -170.91 30.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -127.82 163.27 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -149.84 156.72 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -142.88 170.7 15.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.5 m-85 -110.27 113.55 56.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.712 0.768 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.74 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 t -86.4 159.77 19.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -56.75 -41.03 76.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -66.28 -30.82 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.99 -26.04 4.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.21 176.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -148.35 116.31 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.3 172.2 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -90.89 -26.13 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -120.21 155.65 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -67.96 -37.89 82.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -63.49 -43.64 96.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.7 -34.08 75.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.3 tmm_? -81.63 -33.6 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.01 -54.43 45.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.75 -32.7 31.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -82.0 -19.77 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 mtp -86.13 -31.36 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -71.27 -34.23 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 ptm -67.27 -31.7 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.25 -44.48 97.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.41 -179.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -120.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 mp -132.09 159.31 39.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 155.06 38.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.74 -9.43 26.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 50.2 m-85 -106.77 37.59 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 120.32 16.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.6 106.99 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.95 25.54 3.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.502 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.3 t -115.15 -42.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.0 p -117.73 -37.93 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.23 24.61 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 43.6 mttt -89.98 179.55 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.642 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 29.2 mttp -153.29 161.39 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.9 m-85 -157.9 144.3 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -76.11 -38.91 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.483 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 21.9 mmt -103.21 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.38 -51.43 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.483 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 8.5 p-80 -55.32 -39.21 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -55.79 -38.89 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' CD1' ' A' ' 47' ' ' PHE . 42.1 tp -74.11 -46.93 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.4 -55.79 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -48.41 -20.73 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 9.8 t60 -97.48 -46.49 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.72 -34.65 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -48.35 -28.84 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 60' ' ' HIS . 5.5 pt -66.19 -34.61 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.502 ' CG ' HG11 ' A' ' 42' ' ' VAL . 66.7 m-70 -84.99 -66.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.61 124.05 7.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.13 148.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -87.5 150.39 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.75 ' HZ2' ' N ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -97.16 107.82 40.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 53.6 Cg_endo -69.72 -49.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.737 2.292 . . . . 0.0 112.346 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.557 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 21.2 m-85 -87.28 151.63 22.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -165.72 137.91 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.33 176.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.65 -40.32 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.1 mp -70.26 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -88.77 -8.24 54.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.47 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -68.01 165.52 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -124.33 133.34 53.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.54 127.91 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.75 ' N ' ' HZ2' ' A' ' 64' ' ' LYS . 17.2 ptm -74.56 -31.84 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 72.8 m95 -87.8 148.91 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -79.49 -71.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' ARG . 22.1 t0 -35.36 -50.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -63.35 -40.61 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 78' ' ' ARG . 10.0 t80 -58.38 -65.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -56.09 -47.24 78.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -49.87 -44.01 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.81 -59.75 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.409 ' CG2' ' CE1' ' A' ' 81' ' ' PHE . 45.7 t -41.3 -44.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.7 m -51.78 -54.36 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -68.47 -48.85 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.72 -40.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' LYS . 10.8 m -75.29 -49.29 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' THR . 48.3 mttm -36.47 -44.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -72.27 -44.92 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -55.38 -53.63 53.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -47.98 -42.06 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.38 -49.14 35.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.69 -59.88 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -39.52 138.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.45 41.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -47.42 -44.65 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -53.98 -47.91 70.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -46.95 98.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' THR . 20.5 m -138.99 139.65 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' THR . 81.7 p -36.21 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.62 162.67 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.39 151.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -49.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.46 137.91 5.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.53 27.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.8 p -89.82 167.31 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.34 166.04 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.497 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -172.07 172.25 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -172.53 176.9 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 166.38 35.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -174.99 177.21 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -167.58 171.18 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.49 179.12 40.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.32 131.98 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 3.2 tppt? -96.0 142.72 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 5.4 mt -149.71 170.71 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' A' ' 11' ' ' TYR . 3.1 m-30 -113.04 98.51 45.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.649 0.738 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 138.6 38.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 t -97.43 160.01 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.42 -42.51 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -59.88 -34.99 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.91 -19.32 4.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -63.88 -175.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.9 p -151.79 126.86 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.1 m-85 -115.73 157.41 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -83.62 -19.42 35.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -122.56 133.57 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -32.22 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -62.46 -25.91 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.38 -34.23 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.2 tmm_? -75.83 -33.41 60.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.57 -51.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -54.07 -34.05 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.533 ' CD2' ' HE3' ' A' ' 31' ' ' MET . 9.9 t-80 -75.96 -26.13 56.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.1 mtp -70.51 -52.96 18.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.5 p -46.04 -42.28 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.533 ' HE3' ' CD2' ' A' ' 28' ' ' HIS . 25.7 mtm -48.99 -47.42 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -60.88 -48.52 81.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.5 mt -50.38 175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.17 84.96 1.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -151.89 177.23 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -93.71 144.74 28.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.76 -25.21 28.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 78.2 m-85 -96.73 117.77 31.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.33 131.47 5.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 t -76.63 104.3 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.05 35.84 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG13 ' CG ' ' A' ' 60' ' ' HIS . 60.0 t -126.09 -43.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.25 -37.78 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.03 1.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -97.69 -179.96 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.9 mttt -155.93 160.71 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.4 m-85 -152.23 155.22 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -73.84 -45.33 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.428 ' CB ' ' NE2' ' A' ' 51' ' ' HIS . 6.6 mmt -109.29 173.29 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -81.06 -28.97 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.6 p-80 -74.23 -25.71 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -75.63 -30.6 59.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.579 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 19.7 tp -83.16 -34.71 25.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.84 -60.55 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.71 -22.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.403 ' CE1' ' CD1' ' A' ' 59' ' ' ILE . 17.0 t60 -95.84 -39.5 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.09 -27.63 46.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -55.84 -26.18 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 3.2 pt -71.07 -17.86 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.514 ' CG ' HG13 ' A' ' 42' ' ' VAL . 81.8 m-70 -108.46 13.3 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.4 p -120.67 113.04 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.59 -137.88 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 64' ' ' LYS . 5.3 mp -88.19 136.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -116.62 88.29 24.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -43.16 2.77 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -124.41 148.79 47.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.35 149.06 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.33 173.78 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -109.1 -34.9 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -78.39 -63.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.4 p -89.21 -14.13 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.0 27.36 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -63.22 161.23 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -112.48 134.15 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -133.65 137.27 45.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.552 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 28.4 ptm -81.27 -43.37 19.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.552 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 40.2 m95 -77.33 169.36 18.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -99.19 -48.29 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.11 -49.21 74.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 m -61.37 -41.46 97.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 85' ' ' VAL . 12.2 t80 -56.06 -61.89 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.01 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -52.01 -52.84 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.3 t60 -63.99 -58.83 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 81' ' ' PHE . 53.9 t -45.43 -38.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.3 m -58.68 -54.69 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -73.37 -21.76 60.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.27 -13.24 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -89.02 -45.67 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.71 -43.07 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -68.17 -39.31 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.89 -48.78 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.05 -36.13 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.87 -30.69 69.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.25 -58.84 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -52.76 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -119.32 81.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 99' ' ' GLN . 14.7 pt-20 -41.08 -38.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 7.3 pt20 -113.73 85.85 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -164.81 140.31 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -48.11 137.07 10.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.3 p -91.09 145.87 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -155.15 142.28 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.09 176.04 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 p -152.38 139.43 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 133.44 11.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.41 5.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t -131.56 153.69 49.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 t -131.58 170.88 14.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.516 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -174.7 173.76 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -159.68 178.49 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.12 175.06 34.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 m -164.23 169.95 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -174.39 139.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -66.5 179.64 11.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 2.2 m-20 -162.48 138.96 7.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -130.28 155.9 45.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.75 171.44 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' CD2' ' HD3' ' A' ' 22' ' ' LYS . 8.2 m-85 -116.38 120.46 34.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.713 0.768 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.5 Cg_endo -69.78 123.12 9.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.97 154.47 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -48.83 -48.81 41.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 22.0 p -58.34 -32.16 68.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.37 -21.81 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -63.91 162.1 14.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 p -132.21 121.39 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -102.38 165.84 10.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -91.03 -25.76 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -111.43 139.98 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 4.2 tppp? -60.27 -39.04 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -59.14 -48.89 79.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -56.26 -42.26 77.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 4.0 tmm_? -71.11 -39.99 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.62 -47.44 85.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.45 -41.04 96.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.8 -19.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mtp -71.76 -59.53 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 54.7 p -54.78 -40.36 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 mtp -45.01 -24.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 77.0 m-70 -85.62 -33.36 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 30' ' ' SER . 1.5 pp -112.02 23.26 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -100.42 -159.55 28.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.23 155.87 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HG2' ' C ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.35 129.65 22.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.2 Cg_endo -69.73 -17.08 37.91 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.382 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 68.3 m-85 -109.22 138.83 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.22 136.09 6.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 21.6 t -81.66 105.84 13.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.37 38.67 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG12 ' CG ' ' A' ' 60' ' ' HIS . 85.2 t -129.92 -46.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 p -113.58 -35.14 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.32 30.52 2.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -96.06 -178.2 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.8 mttm -156.08 164.29 38.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.4 m-85 -157.03 151.98 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -77.45 -44.35 29.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.486 ' CB ' ' CE1' ' A' ' 51' ' ' HIS . 7.6 mmt -98.9 151.99 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.13 -33.17 75.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CE1' ' CB ' ' A' ' 49' ' ' MET . 6.4 p80 -77.25 -26.32 52.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -67.49 -25.8 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 47' ' ' PHE . 28.2 tp -84.58 -39.13 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 t -53.8 -59.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.41 -24.03 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.482 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 9.8 t60 -94.07 -44.63 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -50.41 -29.67 10.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -54.18 -28.74 42.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 56' ' ' HIS . 5.4 pt -64.55 -27.94 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.491 ' CG ' HG12 ' A' ' 42' ' ' VAL . 73.0 m-70 -93.86 -55.82 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 t -66.94 145.02 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.4 144.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -97.37 125.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -103.97 106.14 51.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 66' ' ' TYR . 54.1 Cg_endo -69.76 -19.11 36.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 65' ' ' PRO . 62.0 m-85 -160.81 143.37 12.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.1 tm-20 -147.39 124.48 11.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 3.9 t -51.7 169.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -110.26 -32.36 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.36 -66.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 p -85.35 -13.43 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 33.38 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -75.06 160.52 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -111.43 141.2 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -133.83 153.91 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -47.58 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -92.0 140.22 29.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 21.4 ttt85 -66.97 -47.52 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -51.74 22.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 53.0 t80 -57.94 -61.78 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -58.29 -44.65 88.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -52.27 -41.77 63.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -78.53 -56.71 4.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.7 t -46.28 -42.3 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -50.06 -55.78 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' LYS . 1.3 t -72.36 -53.63 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' SER . 30.7 t -37.78 -34.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.1 m -83.35 -40.56 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 3.1 mmmp? -37.83 -46.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -44.61 29.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' ALA . 13.0 t80 -51.02 -52.71 40.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.06 -42.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.48 95.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -68.01 -44.56 76.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -35.12 -44.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 68.25 45.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 44.38 31.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 65.35 44.69 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -90.37 76.92 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -167.77 157.05 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.2 p -43.59 106.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -94.97 146.77 24.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 58.84 42.22 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.0 m -107.69 93.22 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.3 -173.72 45.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 166.93 25.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.2 p -164.23 -177.15 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m 58.08 44.55 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 p -173.69 168.96 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -167.77 178.53 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.64 141.78 5.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -171.38 146.56 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -174.99 159.09 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -74.36 -172.22 27.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.7 m-20 -162.76 137.6 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -130.68 154.9 47.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -138.49 174.08 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 29.8 m-85 -123.24 121.27 27.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.718 0.771 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.81 157.89 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -55.05 -41.93 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -63.27 -27.06 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.78 -18.39 8.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.06 177.59 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 p -144.36 120.32 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 49.9 m-85 -103.78 143.19 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -67.53 -23.15 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -118.54 148.94 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' NH2' ' A' ' 25' ' ' ARG . 29.6 tptt -65.79 -42.91 90.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -56.71 -53.05 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -53.13 -36.03 60.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -77.79 -35.92 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.45 -52.84 59.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -55.3 -30.57 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.18 -19.46 53.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 mmm -85.05 -37.0 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.1 m -70.75 -29.58 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -75.57 -31.6 60.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 14.4 m-70 -54.09 -43.77 70.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.44 70.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.75 -167.8 14.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt 44.95 53.96 7.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -44.7 113.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.75 -19.94 35.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 40.5 m-85 -94.55 110.45 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.72 137.87 10.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.1 t -81.03 104.62 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.08 34.87 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG13 ' CG ' ' A' ' 60' ' ' HIS . 51.6 t -124.99 -43.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.6 -37.14 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.93 31.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD3' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mtpp -96.55 178.81 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.655 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 8.4 mtmp? -158.57 158.57 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 8.3 m-85 -154.79 150.83 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -78.99 -41.63 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.421 ' HB2' ' ND1' ' A' ' 52' ' ' HIS . 21.4 mmt -94.11 148.61 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.0 -36.05 82.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.462 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.9 p-80 -74.1 -34.01 63.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' ND1' ' HB2' ' A' ' 49' ' ' MET . 37.0 m170 -60.83 -27.13 67.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.2 tp -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.0 t -53.1 -61.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA2' ' CD ' ' A' ' 58' ' ' LYS . . . -42.97 -22.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.574 ' CE1' HD11 ' A' ' 59' ' ' ILE . 22.1 t60 -94.89 -45.68 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.13 -25.7 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CD ' ' HA2' ' A' ' 55' ' ' GLY . 12.2 mtpt -58.58 -14.79 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.574 HD11 ' CE1' ' A' ' 56' ' ' HIS . 5.0 pt -82.69 -17.88 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CG ' HG13 ' A' ' 42' ' ' VAL . 85.6 m-70 -108.47 -45.65 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 56.7 p -40.03 151.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -119.29 148.46 18.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 22.9 mm -36.66 133.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 100.06 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.513 0.673 . . . . 0.0 110.948 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 53.7 Cg_endo -69.73 -9.56 26.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 65' ' ' PRO . 16.2 m-85 -115.19 144.36 43.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -157.1 138.08 13.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.32 173.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.9 -59.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -92.21 -10.47 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.35 28.25 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 169.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -125.55 131.87 52.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.97 151.46 49.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.9 ttp -98.56 -30.73 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -91.92 150.56 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.51 ' HD2' ' CE1' ' A' ' 66' ' ' TYR . 3.8 tpt180 -77.31 -52.78 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -50.84 -47.49 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -63.38 -47.71 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CG ' ' HB3' ' A' ' 66' ' ' TYR . 2.7 t80 -48.62 -53.59 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.82 -39.74 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.5 ttt-85 -55.16 -40.49 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.3 t60 -77.93 -56.18 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 81' ' ' PHE . 42.2 t -49.29 -50.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 87' ' ' SER . 1.1 t -44.85 -29.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 86' ' ' THR . 11.9 m -98.45 -31.3 12.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.07 -11.12 46.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 m -86.52 -50.75 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -47.04 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -59.65 -39.56 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.06 -61.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.14 -42.82 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.75 -39.43 3.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -74.88 -50.85 15.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mttt -34.59 -44.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 46.97 40.07 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.93 -45.56 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.1 77.51 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -159.99 121.45 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 m -120.94 98.99 6.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.4 p -63.44 101.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.61 172.22 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.52 118.94 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.8 m -158.86 158.34 33.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -162.36 159.41 31.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 133.95 26.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -154.77 130.02 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.7 p -136.45 168.78 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.435 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -174.52 -178.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m 63.07 51.87 2.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.11 173.06 23.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -165.24 174.84 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -158.79 178.99 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.88 142.58 3.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.24 127.39 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.377 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -117.36 174.69 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 9' ' ' LYS . 12.0 mt -152.52 156.74 39.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -125.84 123.26 24.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.58 12.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.75 163.7 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.44 -38.92 81.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -69.37 -29.26 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.27 -25.38 4.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.27 173.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.2 p -138.6 133.96 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 73.1 m-85 -118.29 142.53 47.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.5 m -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -117.26 155.21 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ARG . 16.7 ttpt -67.44 -60.06 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -42.35 -43.54 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 4.1 tmm_? -79.43 -42.48 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.64 -53.98 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 10.1 ptm180 -55.68 -38.26 69.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 9.8 t-80 -67.89 -31.73 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.4 mtp -67.71 -48.76 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -51.68 -43.49 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.2 mtp -46.27 -51.69 14.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -53.49 -40.11 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 mt -92.25 99.31 12.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.35 -59.03 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.51 173.02 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 7.4 mpt_? -110.09 153.11 43.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.78 -19.51 35.94 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 47.2 m-85 -99.46 130.48 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.41 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 29.8 t -85.29 103.84 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 38.11 2.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' CG ' ' A' ' 60' ' ' HIS . 73.9 t -130.01 -47.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.25 -37.33 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.87 32.19 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -100.73 177.09 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.618 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 55.9 mttt -156.63 157.22 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -145.93 152.84 40.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -79.8 -43.35 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.481 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 13.8 mmt -92.09 170.75 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -47.13 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.2 OUTLIER -71.66 -10.51 59.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 26.9 m170 -81.01 -24.47 37.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 47' ' ' PHE . 34.4 tp -86.16 -40.32 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.8 t -52.1 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -41.49 -22.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 45' ' ' LYS . 26.3 t60 -97.96 -41.39 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.433 ' CE ' ' SG ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -55.66 -27.94 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -59.94 -10.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 56' ' ' HIS . 3.8 pt -86.18 -19.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.506 ' CG ' HG12 ' A' ' 42' ' ' VAL . 81.9 m-70 -110.11 -41.89 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.1 p -70.32 87.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.85 -113.25 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.5 mt -90.17 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.37 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -109.05 90.23 7.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 110.942 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -45.3 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -139.45 138.45 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -143.39 147.02 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.11 173.04 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.94 -33.39 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.52 -62.78 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.9 p -91.32 -10.25 42.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.92 28.79 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -64.11 156.25 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 26.4 mtm105 -109.69 131.74 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.42 111.36 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 ppp? -62.49 -38.45 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' SD ' ' A' ' 76' ' ' MET . 11.4 m95 -75.48 174.4 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -103.59 -60.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -51.02 -49.24 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 m -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.06 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -60.41 -36.44 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -55.45 -40.43 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.2 t60 -77.67 -65.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 63.3 t -37.51 -44.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.3 m -48.0 -47.83 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' THR . 19.2 m -80.67 -51.43 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.78 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.9 m -89.82 -49.06 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' THR . 6.9 mtmp? -34.67 -46.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -73.34 -48.47 34.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -50.68 -50.25 55.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -46.19 -42.23 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.35 -54.5 44.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -38.52 -41.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' ASN . . . 63.42 40.33 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 97' ' ' ALA . 18.3 mt-10 30.82 47.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 62.24 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' ALA . 63.9 t30 -105.45 -38.57 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.0 t -80.14 142.16 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -68.93 108.79 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -125.49 168.91 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.05 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.3 t -155.17 132.96 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.41 160.34 13.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.63 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.7 t -120.39 -64.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.9 p -157.38 174.14 15.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.531 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -163.49 173.89 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -160.0 178.23 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.39 178.81 48.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -144.57 177.19 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -125.66 168.69 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.75 -154.71 8.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -151.64 105.56 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -99.56 154.61 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 5.5 mt -146.38 167.2 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.524 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 4.0 m-85 -133.64 119.14 14.89 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.72 33.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.94 162.7 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -52.38 -43.03 64.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -65.78 -30.41 71.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.54 6.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -61.57 172.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.7 p -134.63 126.48 29.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -109.18 153.36 23.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -71.58 -22.81 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -126.17 162.7 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.33 -40.44 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -59.55 -31.9 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -75.08 -36.43 61.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -75.4 -30.84 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.4 -51.29 45.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -30.62 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.1 t-80 -81.37 -14.1 57.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.0 mtp -84.08 -44.72 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -67.82 -40.61 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 3.2 ppp? -56.74 -31.94 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 19.4 m-70 -57.84 -52.05 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.15 -44.83 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.85 103.94 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 7.5 mp -143.81 117.8 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 2.8 mpt_? -147.21 122.92 5.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.7 Cg_endo -69.69 -17.68 37.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.406 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 80.4 m-85 -100.57 116.08 31.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.93 128.73 6.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.45 105.05 9.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.29 37.58 2.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 60' ' ' HIS . 47.7 t -128.88 -44.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.8 p -115.24 -36.97 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.75 30.46 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.484 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 28.4 mttp -97.0 179.92 4.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.631 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 24.0 mttp -158.05 156.14 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -146.57 150.4 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -78.59 -41.93 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mmt -95.66 165.17 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.58 -47.48 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.42 -3.02 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 18.8 m170 -87.47 -23.56 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 40.8 tp -88.01 -41.91 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.58 -57.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -45.81 -20.8 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.497 ' CE1' HD11 ' A' ' 59' ' ' ILE . 16.9 t60 -97.46 -44.18 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.61 -27.05 15.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 55' ' ' GLY . 13.5 ptmm? -57.0 -23.3 45.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 56' ' ' HIS . 4.4 pt -72.67 -30.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.517 ' CG ' HG12 ' A' ' 42' ' ' VAL . 80.9 m-70 -87.95 -61.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -79.89 147.62 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.71 170.89 24.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.13 160.99 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 111.088 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.67 74.59 79.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.93 30.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 9.4 m-85 -129.69 141.22 50.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.4 tm-20 -148.3 125.87 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 4.3 t -53.81 172.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.97 -40.15 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 mp -70.92 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.2 p -84.63 -10.99 56.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.03 26.19 16.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -66.43 157.37 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -114.0 134.5 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -127.27 157.35 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.536 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.4 ptm -98.6 -38.36 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.536 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 85.5 m95 -92.93 143.87 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 9.2 tpt180 -70.07 -41.99 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 2.9 p-10 -58.19 -39.32 78.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.83 -45.75 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 66' ' ' TYR . 40.1 t80 -53.46 -59.82 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -64.5 -45.28 87.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 61.6 ttt-85 -53.93 -38.97 65.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.9 t60 -81.8 -58.96 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 81' ' ' PHE . 46.9 t -46.82 -50.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.5 HG21 ' N ' ' A' ' 87' ' ' SER . 2.5 t -43.49 -26.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.5 ' N ' HG21 ' A' ' 86' ' ' THR . 74.5 m -101.8 -40.77 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.9 -21.76 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.4 m -86.63 -51.08 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' THR . 19.8 mtpp -34.53 -56.5 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 m -62.04 -43.22 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 6.1 t80 -56.68 -55.32 35.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -53.44 -45.57 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.18 -50.8 8.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.8 29.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 96' ' ' LYS . 4.0 tmmm? -45.87 150.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.35 42.32 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -78.52 -44.89 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -82.99 -25.92 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.86 -42.52 68.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.2 p -80.09 142.51 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.0 p -42.87 124.93 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.95 136.32 37.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 172.88 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -67.99 90.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.47 113.03 3.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.08 63.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 81.4 p -57.44 172.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 m -158.3 173.86 16.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.482 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.72 148.0 64.35 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.734 2.289 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -114.18 162.71 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -52.43 -44.67 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.3 p -62.95 -31.83 73.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 -23.94 4.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.4 167.69 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 p -133.99 128.2 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.41 162.78 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 m -75.79 -32.36 59.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -116.6 163.4 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.598 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -77.05 -38.19 53.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -63.37 -34.05 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.82 -32.21 65.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.1 tmm_? -81.82 -31.91 31.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -66.11 -52.78 45.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -50.97 -31.53 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.27 -22.16 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 mtp -80.51 -45.65 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 p -63.38 -36.16 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -66.59 -36.0 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.9 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.25 33.22 2.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -123.23 -43.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -115.99 -38.15 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.2 31.23 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mttm -98.87 176.56 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 17.5 mtpt -155.37 155.94 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.3 m-85 -147.81 144.77 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -68.52 -45.37 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.86 165.1 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -78.65 -36.35 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -71.81 -27.92 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 17.6 m170 -69.29 -25.13 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 47' ' ' PHE . 25.4 tp -83.89 -39.98 19.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.13 -50.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.55 -12.44 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.805 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.7 t60 -107.76 -38.61 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.88 -25.71 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -8.58 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.9 pt -88.28 -18.99 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.411 ' CG ' HG11 ' A' ' 42' ' ' VAL . 83.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.489 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 4.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -137.15 143.62 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 85' ' ' VAL . 2.7 t -64.97 176.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.05 -36.4 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.9 mp -80.26 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.34 -7.51 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.04 29.92 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -66.72 157.34 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -110.2 136.42 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -140.01 131.4 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.0 ptm -80.21 -38.68 30.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 46.5 m95 -80.19 153.87 28.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -85.11 -57.92 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 5.3 m-20 -46.53 -48.1 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -68.96 -39.78 79.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 t80 -55.92 -58.71 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -68.9 -42.2 77.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 27.6 ttm-85 -52.91 -38.47 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -78.91 -58.66 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 81' ' ' PHE . 87.6 t -47.04 -41.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -48.96 -46.91 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -81.64 -47.35 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.16 -31.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . 86.6 m -86.3 -44.79 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' THR . 4.8 mmmm -34.52 -51.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 m -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.5 t80 -52.02 -41.98 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.676 0.75 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.24 9.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.74 158.56 15.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -56.22 -41.88 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.56 -28.84 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.09 -27.0 5.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -64.16 167.84 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.3 m -135.33 124.54 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -105.19 148.96 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.4 m -74.36 -26.18 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -111.44 133.64 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.86 -36.31 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -62.06 -39.56 92.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.13 -31.03 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -76.76 -42.84 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -60.58 -53.15 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.514 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 5.4 ptm180 -54.67 -32.28 59.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 2.2 t-80 -79.14 -26.32 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -81.63 -39.11 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -69.78 -35.79 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -67.29 -31.38 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.38 38.71 2.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 ' CG ' ' A' ' 60' ' ' HIS . 50.9 t -129.54 -45.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 17.1 p -114.35 -36.42 4.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 30.76 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -96.19 -179.28 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 31.7 mtmm -157.16 158.03 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 10.3 m-85 -151.78 151.1 30.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -76.12 -44.61 37.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.533 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 8.6 mmt -99.41 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -67.7 -32.27 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -74.21 -33.88 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.52 -25.57 68.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -81.6 -42.8 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' HIS . 43.1 t -53.59 -61.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.59 -27.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.2 t-80 -94.31 -40.54 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.54 -27.95 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -56.16 -19.16 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -76.34 -19.35 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 84.2 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 26.9 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.811 0.339 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -148.25 147.91 29.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.48 174.02 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -109.69 -39.63 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.66 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.1 mp -73.51 -63.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.4 p -89.27 -13.06 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.44 29.34 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -65.68 157.86 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -113.29 132.95 55.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -129.1 126.88 40.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.37 -42.74 82.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -94.54 134.87 36.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttm180 -60.79 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ARG . 30.1 t0 -37.77 -44.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -38.36 73.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.0 t80 -57.32 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -57.13 -43.21 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -55.38 -47.68 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.8 t60 -69.85 -64.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 81' ' ' PHE . 46.6 t -39.32 -51.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -44.22 -41.1 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 m -85.2 -41.85 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.5 t -57.29 -23.72 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' LYS . 59.7 m -81.8 -50.57 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 32.8 mtpt -34.69 -46.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -66.22 -50.02 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.8 t80 -56.18 -43.77 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.692 0.758 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -94.6 161.72 14.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -60.33 -39.02 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 26.8 p -67.36 -31.0 70.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.78 -30.74 3.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.22 160.86 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -133.36 130.81 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 6.5 m-85 -106.33 171.67 7.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.3 m -84.15 -34.34 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -109.85 167.2 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.7 ttpp -79.58 -38.63 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.9 m -62.57 -48.53 79.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.84 -38.42 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.2 tmm_? -76.46 -38.68 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -59.41 -54.62 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 25.9 ptt85 -52.43 -32.13 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.403 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 19.6 t-80 -77.1 -36.81 55.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.444 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 18.7 mtp -64.74 -47.87 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 p -49.11 -37.65 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.0 mtm -52.86 -40.73 63.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 10.1 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.0 33.94 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.52 -44.28 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.6 p -114.81 -39.15 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.31 31.03 1.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 31.8 mttt -98.74 176.46 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.607 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.5 mttt -153.84 156.2 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.6 m-85 -145.28 148.56 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG3' ' HG2' ' A' ' 49' ' ' MET . 0.5 OUTLIER -70.39 -44.95 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.537 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 15.9 mmt -100.56 167.55 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.85 -49.79 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.7 OUTLIER -62.4 -35.1 78.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 64.7 m170 -57.75 -30.14 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD12 ' CE1' ' A' ' 47' ' ' PHE . 14.2 tp -83.98 -37.22 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 t -52.8 -60.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.67 -26.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -92.43 -40.81 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -56.55 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -58.64 -16.01 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -84.3 -15.18 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.532 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 31.1 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -144.42 135.14 24.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.35 173.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 1.5 p-10 -111.28 -30.74 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -82.85 -65.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.97 -10.97 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.4 28.73 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -72.13 156.71 38.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -113.01 139.79 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -134.05 119.21 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.0 ttp -59.94 -43.25 95.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -81.69 153.16 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -78.47 -53.77 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -36.0 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.9 p -66.66 -28.58 68.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.2 t80 -70.77 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -60.24 -44.27 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -50.85 -44.59 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.17 -57.91 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 81' ' ' PHE . 61.5 t -44.05 -50.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -42.17 -42.27 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -83.47 -54.06 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.1 t -38.59 -35.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.0 m -82.12 -45.68 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' THR . 2.9 mmmm -33.97 -55.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -68.29 -41.3 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.3 t80 -53.99 -51.54 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.79 125.85 12.6 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 t -96.61 158.99 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -53.99 -47.03 71.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -59.39 -27.53 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.18 -26.32 5.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -60.57 174.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 m -142.52 129.49 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -112.4 142.69 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -65.02 -26.51 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -112.72 149.37 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 16.2 tptm -69.33 -38.87 78.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -61.72 -41.72 98.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -62.79 -32.08 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -80.9 -31.94 34.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.51 -55.02 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.51 -32.04 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -74.03 -33.71 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.95 -48.62 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 p -51.59 -43.66 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.3 mtm -48.06 -52.78 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.4 m170 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.16 29.42 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.85 -42.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.97 -36.73 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.2 31.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 22.0 mttp -97.89 178.67 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 62.8 mttm -158.55 152.62 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.2 m-85 -145.59 148.21 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -72.14 -44.03 63.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 16.6 mtt -95.44 160.51 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 16.8 pttm -70.53 -49.29 49.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 8.9 p-80 -63.24 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.459 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 11.0 m170 -58.75 -25.22 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 29.6 tp -88.17 -38.73 15.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.31 -59.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.35 -19.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.8 t60 -100.6 -36.79 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.35 -27.49 64.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -56.18 -26.33 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' HIS . 2.4 pt -70.82 -16.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.551 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 44.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 9.0 tt0 -172.0 141.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.5 t -73.54 172.56 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 -41.5 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.56 -65.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -85.96 -8.3 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.29 26.39 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -64.23 167.65 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -125.82 139.9 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -139.78 136.91 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ttp -82.28 -43.58 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -82.94 149.35 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -77.98 -56.16 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -42.17 -56.17 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -61.31 -37.35 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 44.8 t80 -61.84 -71.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -49.01 -38.85 24.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.61 -39.85 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -74.25 -60.6 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.8 t -42.55 -53.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.8 m -52.49 -47.78 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 t -86.27 30.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 t -126.15 -27.36 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 89' ' ' THR . 44.6 m -89.11 -12.7 40.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -58.11 -53.92 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -72.66 -49.71 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 1.9 t80 -41.19 -49.47 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.0 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.706 0.765 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.8 122.54 9.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.3 t -92.43 158.71 15.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -55.66 -45.67 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 29.5 p -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.62 -24.84 4.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.37 161.39 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.5 m -134.39 127.83 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 22.8 m-85 -108.55 159.75 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.9 m -82.91 -22.81 33.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.16 142.43 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.8 tppt? -59.52 -36.94 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -64.29 -53.93 41.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.86 -31.53 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 4.2 tmm_? -79.03 -36.44 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.534 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -64.34 -54.65 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 10.7 ptm180 -51.12 -31.2 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -81.89 -19.66 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mmm -86.96 -35.39 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.8 p -70.61 -29.97 66.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 6.4 ptt? -71.78 -31.87 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.3 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.62 29.87 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG11 ' CG ' ' A' ' 60' ' ' HIS . 43.0 t -120.68 -43.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.49 -38.52 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.57 30.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 6.5 mtpt -95.99 -176.21 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.606 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 54.1 mttm -160.6 161.07 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 9.7 m-85 -152.14 151.07 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -70.51 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.7 mmt -104.72 164.93 11.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -69.69 -49.07 57.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -55.31 -38.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -60.62 -31.76 70.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 tp -78.12 -41.58 34.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.9 t -53.19 -61.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.81 -23.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.858 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.0 t60 -95.03 -43.35 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.76 -26.89 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.32 -14.77 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.6 pt -81.09 -17.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.1 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -162.49 142.52 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.95 174.1 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -108.88 -37.57 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -77.84 -66.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.45 -14.31 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.06 26.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -63.94 155.17 31.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -109.43 136.18 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 81' ' ' PHE . 4.8 m-85 -118.68 -174.95 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -117.48 -32.66 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -127.53 144.75 51.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.66 -55.94 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 27.3 t0 -44.39 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -40.83 80.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.1 t80 -61.9 -61.36 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -61.3 -39.13 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 24.1 ttm180 -53.16 -33.67 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.61 -50.14 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.94 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.5 t -51.49 -40.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -50.61 -27.51 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.2 t -102.3 -43.31 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.5 t -53.59 -19.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 14.0 m -90.87 -45.47 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 7.2 mtpm? -35.75 -57.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -57.42 -46.85 83.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -56.37 -39.27 72.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -91.06 163.65 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.4 p -63.84 -26.39 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.88 -20.98 7.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -62.34 168.95 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -135.13 126.58 28.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.43 148.49 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -74.13 -26.62 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -109.98 146.55 35.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -66.26 -43.3 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -57.88 -46.92 84.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -55.53 -39.84 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.7 tmm_? -73.04 -40.8 64.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.24 -52.93 63.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -56.49 -30.45 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -83.52 -13.43 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -87.94 -43.47 11.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 t -67.34 -36.18 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -36.95 80.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 28.4 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 24.66 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.5 t -112.57 -43.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.93 0.395 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 p -116.16 -36.82 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.47 31.41 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.8 mttp -97.0 -179.67 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.5 mttm -158.04 155.79 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 3.8 m-85 -149.98 158.11 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -85.39 -43.32 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 24.0 mmt -96.33 156.27 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -71.39 -30.77 66.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 4.3 p-80 -78.4 -30.82 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 47' ' ' PHE . 31.2 tp -82.88 -40.07 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' HIS . 23.6 t -54.52 -61.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.56 -22.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.2 t60 -95.97 -44.96 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.7 -26.4 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.87 -12.55 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.0 pt -84.04 -16.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.2 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.64 126.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 85' ' ' VAL . 1.6 t -53.36 171.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -113.01 -34.94 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.42 -64.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.9 p -84.86 -10.81 56.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.45 31.37 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -76.65 161.07 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 85.3 mtt180 -115.62 151.19 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 74' ' ' ARG . 63.3 m-85 -148.32 153.08 38.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 12.1 ptm -96.08 -22.55 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 79.6 m95 -95.02 156.36 16.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -89.68 -53.02 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -53.18 -52.53 58.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -60.11 -35.48 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.0 t80 -59.85 -65.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -55.74 -47.5 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.8 -40.93 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.1 t60 -66.8 -52.03 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 81' ' ' PHE . 35.5 t -56.37 -34.09 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -51.23 -41.69 60.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 m -76.67 -31.55 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.9 m -87.34 -53.72 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' THR . 16.6 mtpp -34.4 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -84.59 -50.15 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -48.94 -41.41 33.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.1 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.26 39.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.8 t -106.8 163.82 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -56.43 -42.21 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.38 -27.5 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.01 174.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -137.86 133.04 33.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 31.7 m-85 -116.02 144.18 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -61.76 -28.93 69.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -116.11 163.47 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -81.15 -38.35 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -65.75 -37.07 85.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 1.1 tmm_? -71.02 -37.56 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -67.47 -53.67 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.23 -31.68 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -78.38 -29.94 47.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.9 mtp -63.56 -44.23 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -57.17 -41.39 79.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.9 mtp -46.2 -48.46 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.6 m170 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 33.28 2.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.496 HG11 ' CG ' ' A' ' 60' ' ' HIS . 58.8 t -123.92 -46.58 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.23 -36.56 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.34 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 40.2 mttt -96.77 -178.59 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 38.4 mtmt -159.35 153.95 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.2 m-85 -147.93 141.2 25.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -66.49 -43.82 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.1 mmt -95.71 158.07 15.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 18.6 pttp -71.4 -46.35 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.3 p-80 -63.06 -32.22 73.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -61.04 -26.79 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 37.1 tp -82.38 -41.95 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.88 -50.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.32 -12.59 3.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 59' ' ' ILE . 11.7 t60 -108.44 -38.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -57.44 -27.2 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -60.67 -9.48 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.859 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.5 pt -86.38 -17.53 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 9.8 m-85 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 68' ' ' CYS . 28.0 tt0 -152.88 133.8 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 6.0 t -58.86 169.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -107.91 -32.6 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.3 mp -77.94 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.0 p -82.79 -20.52 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 71' ' ' CYS . . . 73.25 25.83 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -63.32 167.67 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -126.74 135.88 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -126.3 165.68 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.6 ttp -115.39 17.19 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -151.16 133.87 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 18.7 tpt180 -58.57 -46.45 86.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -53.2 -53.72 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -59.68 -42.39 92.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.954 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.4 t80 -50.81 -60.04 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -65.85 -44.35 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -51.6 -32.66 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -90.37 -56.84 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 81' ' ' PHE . 24.6 t -48.41 -48.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -46.39 -30.29 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -95.37 -45.53 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.68 -17.59 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.2 m -91.11 -49.82 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 14.8 mtpt -36.03 -61.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.4 m -55.96 -50.36 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.1 t80 -49.89 -59.06 4.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.7 0.762 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.7 136.59 33.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.2 t -93.4 163.77 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -52.42 -46.73 66.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.0 p -59.41 -30.26 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.66 -23.62 4.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 27.7 mtpp -52.76 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.8 m -157.91 122.92 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 7.3 m-85 -113.59 146.67 39.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -63.11 -32.45 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -108.84 161.7 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -80.41 -36.35 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -62.99 -41.64 99.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.18 -35.5 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 5.7 tmm_? -76.04 -30.71 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -56.14 -25.94 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -93.54 -7.69 43.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 mtp -85.87 -55.03 4.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 m -56.73 -44.31 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.3 ptm -41.72 -33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 26.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.53 2.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.9 t -128.81 -45.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.2 -37.04 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 31.96 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -98.21 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 71.9 mttt -158.02 155.29 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 6.6 m-85 -149.55 146.38 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -73.95 -39.29 63.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 14.1 mmt -98.47 146.79 25.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -64.98 -31.64 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -77.22 -33.91 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -62.15 -25.82 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.9 tp -82.99 -37.77 23.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' HIS . 22.8 t -56.21 -62.68 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.84 -25.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 4.1 t-80 -93.62 -44.05 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.65 -27.44 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -58.16 -12.54 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.8 pt -83.54 -18.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.443 ' NE2' HD11 ' A' ' 59' ' ' ILE . 79.9 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 6.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -161.0 142.14 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 t -64.75 175.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.855 ' OD1' HD12 ' A' ' 70' ' ' ILE . 7.6 p-10 -112.09 -32.43 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.855 HD12 ' OD1' ' A' ' 69' ' ' ASN . 5.4 mp -83.09 -63.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.74 -0.83 57.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 50.21 29.74 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -67.52 162.31 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -116.78 137.18 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -132.08 155.98 47.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.7 ttp -100.33 -45.44 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -85.29 135.81 33.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 66' ' ' TYR . 13.5 tpt180 -64.12 -49.13 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.69 -40.49 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -71.89 -44.98 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.5 t80 -50.73 -57.49 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -67.49 -41.0 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -51.66 -49.62 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -72.27 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 81' ' ' PHE . 58.0 t -42.91 -42.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -48.02 -46.95 33.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.9 t -81.81 -49.87 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.9 t -42.23 -30.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.567 HG22 ' HG3' ' A' ' 93' ' ' GLU . 7.5 m -81.29 -46.3 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 20.7 mmmt -34.4 -57.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.1 m -57.06 -52.22 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.51 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.567 ' HG3' HG22 ' A' ' 89' ' ' THR . 45.3 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.651 0.739 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.29 25.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.606 2.204 . . . . 0.0 112.362 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -111.68 152.48 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -47.07 -47.65 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -55.28 -29.73 58.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.32 10.85 14.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -91.37 179.78 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -142.92 115.2 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.98 173.67 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -93.44 -27.04 16.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -114.36 158.54 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -72.32 -52.93 13.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 t -51.58 -45.51 63.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.29 -46.06 76.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -70.02 -39.72 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -61.64 -52.65 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 7.3 ptp180 -57.57 -34.93 69.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 4.0 t-80 -67.76 -39.05 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -62.8 -46.72 86.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 m -55.47 -43.38 75.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 28.3 mtm -49.23 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' MET . 12.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.45 31.95 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.1 t -121.72 -41.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.5 p -120.59 -40.99 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.83 30.6 1.22 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -97.06 177.86 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mtmp? -147.58 163.42 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' ' 53' ' ' LEU . 10.4 m-85 -159.67 116.8 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -53.3 -34.11 56.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.8 mmt -102.55 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -89.06 -27.28 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.452 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 12.3 p-80 -82.42 -29.38 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 8.3 m170 -65.8 -25.73 67.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 47' ' ' PHE . 21.6 tp -82.88 -41.18 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.91 -58.33 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.75 -21.85 0.64 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 59' ' ' ILE . 8.2 t60 -96.69 -44.13 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -50.26 -31.73 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -51.55 -30.15 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -66.16 -35.88 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 71.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 8.6 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -160.78 129.76 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.78 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.82 -40.06 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -72.66 -59.95 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.69 -7.64 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.5 25.97 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -57.67 163.15 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.59 123.29 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.29 171.77 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 ttp -111.43 -48.86 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -81.05 137.14 36.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttp180 -62.75 -56.12 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -44.49 -58.01 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.9 m -59.28 -40.68 86.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 85' ' ' VAL . 4.7 t80 -57.66 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -57.03 -42.43 80.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -52.52 -53.54 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -54.37 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 81' ' ' PHE . 61.4 t -47.44 -44.58 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.8 m -50.86 -59.5 4.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -65.36 -35.21 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.8 t -54.47 -21.09 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.509 HG22 ' HG3' ' A' ' 93' ' ' GLU . 6.5 m -89.02 -49.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.6 OUTLIER -35.52 -33.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' THR . 3.1 m -85.9 -53.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.8 t80 -48.88 -45.22 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.509 ' HG3' HG22 ' A' ' 89' ' ' THR . 25.2 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 16.7 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.651 0.739 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.39 35.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.54 152.62 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.07 -49.82 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 p -52.33 -31.5 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.94 8.31 13.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.81 174.4 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -137.08 113.2 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -94.17 175.26 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -95.29 -28.67 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -114.01 138.64 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 ttpp -54.43 -43.26 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 p -56.19 -60.66 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -45.24 -39.67 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.3 tmm_? -73.15 -35.73 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -68.64 -54.5 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -57.52 -32.59 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 18.4 t60 -71.53 -33.85 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 20.9 mtp -65.72 -48.29 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.2 m -54.54 -41.04 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.8 mtm -49.81 -47.39 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.0 m170 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.2 30.41 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 60' ' ' HIS . 55.9 t -120.3 -44.55 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.1 p -114.67 -36.03 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.72 31.13 2.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 39.6 mttt -96.26 179.38 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.2 mttp -158.73 152.83 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.3 m-85 -146.47 145.68 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -73.85 -42.45 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.402 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 20.9 mmt -93.29 159.67 15.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -74.88 -47.34 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.491 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -69.57 -10.79 59.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 7.9 m170 -80.9 -23.54 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 tp -86.41 -42.03 13.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 t -52.27 -58.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.2 -23.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.863 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -96.74 -43.65 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.5 -27.24 10.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -58.79 -11.01 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.863 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -86.35 -16.97 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CG ' HG11 ' A' ' 42' ' ' VAL . 91.1 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.439 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 32.8 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.339 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 7.0 tt0 -165.32 143.21 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.8 t -72.56 166.29 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.38 -25.96 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -82.14 -65.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -87.19 -12.79 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.58 33.09 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -71.41 165.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -119.7 139.58 52.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 6.3 m-85 -131.26 152.5 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 ttp -108.96 15.48 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -149.12 145.62 27.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -70.12 -56.78 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.01 -49.73 30.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.5 m -65.05 -44.57 88.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.9 t80 -51.81 -58.14 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -65.41 -42.05 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -49.28 -39.77 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -85.35 -61.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 54.3 t -38.92 -49.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -45.88 -56.07 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -68.69 -44.73 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.95 -32.23 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TYR . 3.1 m -78.74 -50.62 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 29.2 mtpt -35.83 -46.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -68.93 -43.14 75.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.7 t80 -58.14 -47.68 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 8.1 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.672 0.748 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.11 46.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.27 163.36 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.4 -46.98 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -58.24 -32.76 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.98 -20.23 5.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -60.18 -175.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -154.84 127.09 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.78 161.83 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 m -72.39 -32.26 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -116.12 164.04 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.57 -36.04 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 p -64.85 -34.12 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -74.53 -29.59 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.9 tmm_? -83.72 -31.43 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -64.66 -52.68 56.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -49.15 -29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.96 -24.42 33.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mtp -81.87 -37.43 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -69.92 -33.89 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 2.2 ptt? -69.6 -31.53 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 31' ' ' MET . 15.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.56 37.5 2.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -129.3 -45.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.1 p -112.71 -39.06 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -100.63 179.44 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 9.7 mtmp? -158.1 154.92 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 2.9 m-85 -143.88 140.76 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -66.91 -43.43 83.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mtt -97.3 155.48 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -60.98 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -14.99 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 14.4 m170 -77.18 -24.07 51.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 47' ' ' PHE . 33.6 tp -86.36 -39.75 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' HIS . 15.2 t -52.99 -61.28 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.875 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.6 t-80 -93.7 -43.24 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.55 -27.22 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -57.97 -14.58 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.875 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.7 pt -80.73 -17.93 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.8 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 1.8 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.1 t -61.29 168.95 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 2.1 p-10 -109.38 -24.74 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.4 -66.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -83.52 -13.39 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.56 34.41 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -77.16 164.36 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -113.24 128.71 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -134.27 105.97 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.553 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.9 ppp? -61.83 -32.82 73.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.553 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 32.9 m95 -82.38 127.42 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 23.3 ttm-85 -64.24 -44.91 90.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -56.56 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -62.04 -44.58 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.917 ' O ' HG23 ' A' ' 85' ' ' VAL . 16.2 t80 -50.86 -58.13 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.422 ' CE1' ' NH1' ' A' ' 78' ' ' ARG . 66.7 m80 -68.59 -41.38 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -57.96 -30.98 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.9 t60 -89.98 -54.4 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 81' ' ' PHE . 48.9 t -49.91 -44.87 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 t -49.75 -26.84 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -98.84 -47.42 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.96 -23.78 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . 19.5 m -87.47 -51.15 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' THR . 37.1 mttp -34.27 -49.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 m -68.86 -49.89 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -49.72 -55.2 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.4 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.644 0.735 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.218 . . . . 0.0 112.397 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 t -97.72 163.11 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -58.88 -38.15 78.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.5 p -69.22 -28.0 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.25 -24.38 5.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -61.42 176.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -141.64 133.51 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -117.42 136.96 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.4 m -55.86 -29.28 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -115.59 156.73 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.5 tttp -69.04 -59.77 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -43.09 -42.53 4.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.51 -35.83 74.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 26' ' ' ASP . 3.5 tmm_? -74.44 -41.94 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 9.1 t0 -61.09 -56.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -49.17 -34.47 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -72.56 -34.03 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.434 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 32.0 mtp -67.53 -41.83 83.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -56.75 -35.69 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtm -62.56 -39.19 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.0 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.54 34.02 2.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' A' ' 60' ' ' HIS . 48.3 t -123.91 -44.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 p -114.88 -40.1 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.05 31.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -98.28 -177.95 3.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.3 mtmm -156.91 159.4 38.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 13.4 m-85 -151.07 149.08 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -44.12 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.584 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 4.9 mmt -103.46 156.17 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -62.67 -46.25 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -60.97 -40.21 92.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 29.2 m170 -55.37 -30.02 59.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 47' ' ' PHE . 23.3 tp -82.91 -39.15 21.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.1 t -55.16 -62.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.15 -24.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.4 t60 -95.15 -43.47 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.68 -27.46 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -58.29 -11.35 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -85.61 -17.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.484 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -166.74 141.66 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.0 171.5 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -109.2 -29.61 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.81 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.8 p -85.7 -5.24 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.71 29.74 14.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -67.17 163.71 19.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -114.63 136.4 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -126.94 142.76 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 ttt -87.71 -37.38 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -102.04 147.46 26.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.89 -50.23 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -50.51 -48.53 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -67.74 -34.92 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 85' ' ' VAL . 6.3 t80 -57.72 -66.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -57.95 -44.0 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -46.36 -44.35 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -80.52 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' CE1' ' A' ' 81' ' ' PHE . 43.5 t -42.8 -42.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.26 -42.52 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.1 m -80.84 -47.91 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.08 -18.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 90.6 m -89.06 -51.96 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' THR . 41.0 mttt -33.98 -57.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -55.21 -47.84 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.4 t80 -58.47 -44.08 89.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 141.87 46.37 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.86 161.57 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -48.9 -44.45 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 p -65.04 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.52 -19.67 6.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -59.4 172.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -136.01 127.26 28.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 19.4 m-85 -113.36 144.01 43.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -63.37 -23.53 67.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.05 163.56 20.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.79 -41.9 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -60.62 -32.95 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.54 -34.29 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 5.5 tmm_? -74.32 -39.59 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.1 -54.09 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -49.45 -30.91 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -79.54 -26.57 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.3 mtp -68.0 -48.24 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -49.3 -45.28 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.8 mtm -46.58 -46.1 19.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.7 m170 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 32.65 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.5 t -122.37 -49.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 p -110.79 -36.93 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.36 31.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 1.5 mtpm? -95.71 -177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 73.7 mttt -161.16 149.74 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 6.9 m-85 -141.83 151.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -78.28 -43.24 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 6.5 mmt -96.5 155.52 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -70.01 -43.27 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.51 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -74.01 -7.23 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 6.8 m170 -86.04 -20.45 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 47' ' ' PHE . 22.2 tp -90.24 -37.05 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.64 -60.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.9 -24.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.3 t60 -93.16 -43.88 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.49 -27.47 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -58.59 -10.89 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.2 pt -85.49 -17.71 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' HG11 ' A' ' 42' ' ' VAL . 80.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 32.1 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.931 0.396 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -153.38 135.25 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 171.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.73 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.99 -67.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.23 -10.97 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 27.31 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -66.28 165.27 14.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 12.6 mtp-105 -115.93 140.65 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -134.9 119.97 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -64.29 -40.61 96.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.89 158.55 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 37.2 ttp85 -84.9 -52.65 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -44.98 -37.78 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -78.07 -33.08 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CE1' HG21 ' A' ' 85' ' ' VAL . 30.2 t80 -59.03 -63.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -59.88 -40.62 89.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -53.02 -38.57 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 8.6 t60 -84.94 -66.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.6 t -34.68 -48.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -47.59 -46.23 28.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' HIS . 41.1 m -78.95 -37.14 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.8 t -61.15 -30.47 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.9 m -81.8 -48.37 11.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 8.1 mtpm? -36.03 -49.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -64.77 -53.69 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -50.22 -52.33 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.596 0.712 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.73 121.29 7.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -93.83 159.69 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -54.98 -47.29 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.7 p -58.26 -27.95 64.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.55 -23.19 6.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -62.82 173.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 m -142.54 125.07 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -108.72 145.93 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 m -70.81 -27.57 63.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -109.61 153.03 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -72.52 -40.9 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.3 m -58.42 -42.77 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -63.72 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.8 tmm_? -74.46 -38.87 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.52 -51.9 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -55.58 -30.53 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -85.23 -13.57 49.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.5 mtp -88.23 -41.8 12.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -69.91 -33.96 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 1.6 ppp? -63.88 -35.49 80.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 18.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.12 35.81 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 60' ' ' HIS . 52.9 t -126.18 -45.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.49 -36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.63 32.17 1.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 21.4 mttp -98.14 179.53 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 74.0 mttt -160.24 151.86 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 4.9 m-85 -146.67 147.34 30.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -76.0 -38.53 57.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 51' ' ' HIS . 46.4 mtt -94.15 150.34 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.29 -28.3 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.466 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.2 p-80 -81.77 -21.26 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -73.27 -33.59 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.68 -40.85 65.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' HIS . 11.6 t -54.89 -61.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.57 -24.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' ILE . 4.5 t-80 -94.57 -43.23 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.97 -26.94 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -56.65 -19.59 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -78.69 -16.62 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.0 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -171.8 139.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.45 169.01 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -108.17 -27.57 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -82.32 -67.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 p -85.6 -7.68 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.68 25.8 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -66.26 157.06 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -115.19 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -123.11 149.15 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.437 ' CG ' ' CD1' ' A' ' 77' ' ' TRP . 22.4 ptm -91.47 -43.27 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.437 ' CD1' ' CG ' ' A' ' 76' ' ' MET . 82.6 m95 -81.9 162.28 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -90.64 -47.7 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.31 -48.07 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -64.02 -40.04 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t80 -55.42 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -57.92 -37.37 73.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -56.96 -46.83 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.13 -58.82 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 81' ' ' PHE . 43.3 t -44.74 -44.04 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -49.29 -43.35 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -50.01 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.0 t -44.49 -32.19 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.4 m -79.31 -46.29 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' THR . 5.0 mmmm -33.76 -50.97 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 t -68.64 -43.32 76.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 89' ' ' THR . 5.1 t80 -56.85 -53.53 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 89' ' ' THR . 20.4 mt-10 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.712 0.768 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.74 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 t -86.4 159.77 19.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.75 -41.03 76.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -66.28 -30.82 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.99 -26.04 4.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.21 176.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -148.35 116.31 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.3 172.2 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -90.89 -26.13 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -120.21 155.65 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -67.96 -37.89 82.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -63.49 -43.64 96.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.7 -34.08 75.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.3 tmm_? -81.63 -33.6 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.01 -54.43 45.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.75 -32.7 31.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.401 ' HA ' ' SD ' ' A' ' 31' ' ' MET . 3.1 t-80 -82.0 -19.77 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 mtp -86.13 -31.36 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -71.27 -34.23 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 28' ' ' HIS . 3.5 ptm -67.27 -31.7 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.95 25.54 3.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.414 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.3 t -115.15 -42.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.0 p -117.73 -37.93 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.23 24.61 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 43.6 mttt -89.98 179.55 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.642 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 29.2 mttp -153.29 161.39 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.9 m-85 -157.9 144.3 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -76.11 -38.91 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.496 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 21.9 mmt -103.21 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 17.0 ptpt -77.38 -51.43 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 8.5 p-80 -55.32 -39.21 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -55.79 -38.89 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' CD1' ' A' ' 47' ' ' PHE . 42.1 tp -74.11 -46.93 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.4 -55.79 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -48.41 -20.73 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -97.48 -46.49 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.72 -34.65 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -48.35 -28.84 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -66.19 -34.61 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' ILE . 35.7 m170 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.457 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 21.2 m-85 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -165.72 137.91 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.33 176.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.65 -40.32 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -70.26 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -88.77 -8.24 54.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.47 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -68.01 165.52 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -124.33 133.34 53.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.54 127.91 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.604 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 17.2 ptm -74.56 -31.84 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 72.8 m95 -87.8 148.91 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -79.49 -71.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' ARG . 22.1 t0 -35.36 -50.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -63.35 -40.61 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 85' ' ' VAL . 10.0 t80 -58.38 -65.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -56.09 -47.24 78.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -49.87 -44.01 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.81 -59.75 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 81' ' ' PHE . 45.7 t -41.3 -44.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.7 m -51.78 -54.36 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -68.47 -48.85 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.72 -40.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' LYS . 10.8 m -75.29 -49.29 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' THR . 48.3 mttm -36.47 -44.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -72.27 -44.92 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -55.38 -53.63 53.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 3.1 m-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.649 0.738 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.71 138.6 38.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 t -97.43 160.01 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.42 -42.51 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HE3' ' A' ' 17' ' ' LYS . 11.7 p -59.88 -34.99 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.91 -19.32 4.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HE3' ' SG ' ' A' ' 15' ' ' CYS . 21.2 mtmt -63.88 -175.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.9 p -151.79 126.86 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.1 m-85 -115.73 157.41 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -83.62 -19.42 35.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -122.56 133.57 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -32.22 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -62.46 -25.91 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.38 -34.23 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.2 tmm_? -75.83 -33.41 60.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.57 -51.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -54.07 -34.05 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -75.96 -26.13 56.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.1 mtp -70.51 -52.96 18.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.5 p -46.04 -42.28 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.7 mtm -48.99 -47.42 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.05 35.84 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.0 t -126.09 -43.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.25 -37.78 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.03 1.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -97.69 -179.96 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.9 mttt -155.93 160.71 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.4 m-85 -152.23 155.22 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -73.84 -45.33 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.428 ' CB ' ' NE2' ' A' ' 51' ' ' HIS . 6.6 mmt -109.29 173.29 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -81.06 -28.97 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.459 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.6 p-80 -74.23 -25.71 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -75.63 -30.6 59.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.579 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 19.7 tp -83.16 -34.71 25.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.84 -60.55 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.71 -22.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.0 t60 -95.84 -39.5 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.09 -27.63 46.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -55.84 -26.18 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.2 pt -71.07 -17.86 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.425 ' CG ' HG11 ' A' ' 42' ' ' VAL . 81.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.886 0.374 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.35 149.06 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.33 173.78 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -109.1 -34.9 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.7 mp -78.39 -63.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.4 p -89.21 -14.13 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.0 27.36 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -63.22 161.23 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -112.48 134.15 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -133.65 137.27 45.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 28.4 ptm -81.27 -43.37 19.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 40.2 m95 -77.33 169.36 18.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -99.19 -48.29 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.11 -49.21 74.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 m -61.37 -41.46 97.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.801 ' O ' HG23 ' A' ' 85' ' ' VAL . 12.2 t80 -56.06 -61.89 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.01 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -52.01 -52.84 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.99 -58.83 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 81' ' ' PHE . 53.9 t -45.43 -38.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.3 m -58.68 -54.69 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -73.37 -21.76 60.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.27 -13.24 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -89.02 -45.67 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.71 -43.07 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -68.17 -39.31 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.89 -48.78 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 22' ' ' LYS . 8.2 m-85 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 121.713 0.768 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.5 Cg_endo -69.78 123.12 9.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.97 154.47 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -48.83 -48.81 41.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 p -58.34 -32.16 68.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.37 -21.81 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -63.91 162.1 14.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 p -132.21 121.39 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -102.38 165.84 10.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -91.03 -25.76 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -111.43 139.98 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 4.2 tppp? -60.27 -39.04 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -59.14 -48.89 79.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -56.26 -42.26 77.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 4.0 tmm_? -71.11 -39.99 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.62 -47.44 85.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.45 -41.04 96.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.8 -19.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mtp -71.76 -59.53 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.7 p -54.78 -40.36 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 mtp -45.01 -24.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.8 m80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 21.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.37 38.67 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.92 -46.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 p -113.58 -35.14 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.32 30.52 2.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -96.06 -178.2 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.651 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.8 mttm -156.08 164.29 38.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.4 m-85 -157.03 151.98 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -77.45 -44.35 29.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.566 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.6 mmt -98.9 151.99 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.13 -33.17 75.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 4.1 p-80 -77.25 -26.32 52.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -67.49 -25.8 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 47' ' ' PHE . 28.2 tp -84.58 -39.13 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 t -53.8 -59.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.41 -24.03 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -94.07 -44.63 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -50.41 -29.67 10.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -54.18 -28.74 42.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -64.55 -27.94 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.431 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 62.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.1 tm-20 -147.39 124.48 11.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 3.9 t -51.7 169.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -110.26 -32.36 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.36 -66.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 p -85.35 -13.43 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 33.38 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -75.06 160.52 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -111.43 141.2 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -133.83 153.91 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -47.58 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -92.0 140.22 29.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 21.4 ttt85 -66.97 -47.52 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -51.74 22.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.0 t80 -57.94 -61.78 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.29 -44.65 88.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -52.27 -41.77 63.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -78.53 -56.71 4.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 37.7 t -46.28 -42.3 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -50.06 -55.78 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' LYS . 1.3 t -72.36 -53.63 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' SER . 30.7 t -37.78 -34.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.1 m -83.35 -40.56 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 3.1 mmmp? -37.83 -46.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -44.61 29.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -51.02 -52.71 40.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 29.8 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.718 0.771 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.81 157.89 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -55.05 -41.93 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 p -63.27 -27.06 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.78 -18.39 8.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.06 177.59 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 p -144.36 120.32 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 49.9 m-85 -103.78 143.19 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -67.53 -23.15 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -118.54 148.94 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' NH2' ' A' ' 25' ' ' ARG . 29.6 tptt -65.79 -42.91 90.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -56.71 -53.05 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -53.13 -36.03 60.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -77.79 -35.92 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.45 -52.84 59.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -55.3 -30.57 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.18 -19.46 53.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 mmm -85.05 -37.0 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.1 m -70.75 -29.58 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -75.57 -31.6 60.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.9 m170 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.08 34.87 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 ' CG ' ' A' ' 60' ' ' HIS . 51.6 t -124.99 -43.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.6 -37.14 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.93 31.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mtpp -96.55 178.81 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.655 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 8.4 mtmp? -158.57 158.57 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 8.3 m-85 -154.79 150.83 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -78.99 -41.63 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.427 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 21.4 mmt -94.11 148.61 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.0 -36.05 82.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.471 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.9 p-80 -74.1 -34.01 63.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 37.0 m170 -60.83 -27.13 67.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.2 tp -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.0 t -53.1 -61.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 58' ' ' LYS . . . -42.97 -22.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 22.1 t60 -94.89 -45.68 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.13 -25.7 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' CD ' ' HA2' ' A' ' 55' ' ' GLY . 12.2 mtpt -58.58 -14.79 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.0 pt -82.69 -17.88 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.6 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE1' ' HD2' ' A' ' 78' ' ' ARG . 16.2 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 73' ' ' LYS . 4.1 tt0 -157.1 138.08 13.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.32 173.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.9 -59.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -92.21 -10.47 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.35 28.25 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -56.49 169.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -125.55 131.87 52.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.97 151.46 49.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.9 ttp -98.56 -30.73 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -91.92 150.56 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD2' ' CE1' ' A' ' 66' ' ' TYR . 3.8 tpt180 -77.31 -52.78 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -50.84 -47.49 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -63.38 -47.71 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.919 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 t80 -48.62 -53.59 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.82 -39.74 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 ttt-85 -55.16 -40.49 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.3 t60 -77.93 -56.18 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 81' ' ' PHE . 42.2 t -49.29 -50.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 83' ' ' ARG . 1.1 t -44.85 -29.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -98.45 -31.3 12.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.07 -11.12 46.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 m -86.52 -50.75 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -47.04 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -59.65 -39.56 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.06 -61.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.678 0.752 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.58 12.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.75 163.7 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.44 -38.92 81.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -69.37 -29.26 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.27 -25.38 4.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.27 173.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.2 p -138.6 133.96 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 73.1 m-85 -118.29 142.53 47.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.5 m -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -117.26 155.21 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ARG . 16.7 ttpt -67.44 -60.06 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -42.35 -43.54 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 4.1 tmm_? -79.43 -42.48 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.64 -53.98 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 10.1 ptm180 -55.68 -38.26 69.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 9.8 t-80 -67.89 -31.73 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.4 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 19.4 mtp -67.71 -48.76 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -51.68 -43.49 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.2 mtp -46.27 -51.69 14.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 12.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 29.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 38.11 2.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 60' ' ' HIS . 73.9 t -130.01 -47.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.25 -37.33 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.87 32.19 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -100.73 177.09 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.618 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 55.9 mttt -156.63 157.22 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -145.93 152.84 40.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -79.8 -43.35 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 13.8 mmt -92.09 170.75 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -47.13 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.2 OUTLIER -71.66 -10.51 59.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 26.9 m170 -81.01 -24.47 37.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 47' ' ' PHE . 34.4 tp -86.16 -40.32 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.8 t -52.1 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.49 -22.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 59' ' ' ILE . 5.4 t-80 -97.96 -41.39 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.433 ' CE ' ' SG ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -55.66 -27.94 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -10.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -86.18 -19.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 81.9 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -143.39 147.02 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.11 173.04 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.94 -33.39 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.52 -62.78 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.9 p -91.32 -10.25 42.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.92 28.79 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -64.11 156.25 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 26.4 mtm105 -109.69 131.74 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.42 111.36 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 ppp? -62.49 -38.45 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' SD ' ' A' ' 76' ' ' MET . 11.4 m95 -75.48 174.4 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -103.59 -60.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -51.02 -49.24 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 m -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.06 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -60.41 -36.44 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -55.45 -40.43 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.2 t60 -77.67 -65.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 63.3 t -37.51 -44.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.3 m -48.0 -47.83 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' THR . 19.2 m -80.67 -51.43 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.78 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' GLU . 25.9 m -89.82 -49.06 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' THR . 6.9 mtmp? -34.67 -46.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -73.34 -48.47 34.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -50.68 -50.25 55.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 89' ' ' THR . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 4.0 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.72 33.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.94 162.7 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -52.38 -43.03 64.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -65.78 -30.41 71.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.54 6.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -61.57 172.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.7 p -134.63 126.48 29.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -109.18 153.36 23.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -71.58 -22.81 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -126.17 162.7 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.33 -40.44 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -59.55 -31.9 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -75.08 -36.43 61.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -75.4 -30.84 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.4 -51.29 45.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -30.62 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.1 t-80 -81.37 -14.1 57.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.0 mtp -84.08 -44.72 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -67.82 -40.61 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 3.2 ppp? -56.74 -31.94 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 19.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.29 37.58 2.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 60' ' ' HIS . 47.7 t -128.88 -44.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.8 p -115.24 -36.97 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.75 30.46 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 28.4 mttp -97.0 179.92 4.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.631 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 24.0 mttp -158.05 156.14 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -146.57 150.4 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -78.59 -41.93 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.497 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 6.0 mmt -95.66 165.17 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.58 -47.48 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -3.02 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -87.47 -23.56 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 47' ' ' PHE . 40.8 tp -88.01 -41.91 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.58 -57.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -45.81 -20.8 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.9 t60 -97.46 -44.18 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.61 -27.05 15.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 55' ' ' GLY . 13.5 ptmm? -57.0 -23.3 45.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 56' ' ' HIS . 4.4 pt -72.67 -30.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 80.9 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 9.4 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.4 tm-20 -148.3 125.87 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 4.3 t -53.81 172.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.97 -40.15 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -70.92 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.2 p -84.63 -10.99 56.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.03 26.19 16.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -66.43 157.37 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -114.0 134.5 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -127.27 157.35 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.558 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.4 ptm -98.6 -38.36 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 85.5 m95 -92.93 143.87 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 9.2 tpt180 -70.07 -41.99 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 2.9 p-10 -58.19 -39.32 78.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.83 -45.75 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 85' ' ' VAL . 40.1 t80 -53.46 -59.82 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -64.5 -45.28 87.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 86' ' ' THR . 61.6 ttt-85 -53.93 -38.97 65.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.9 t60 -81.8 -58.96 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 81' ' ' PHE . 46.9 t -46.82 -50.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 83' ' ' ARG . 2.5 t -43.49 -26.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -101.8 -40.77 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.9 -21.76 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 93' ' ' GLU . 28.4 m -86.63 -51.08 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' THR . 19.8 mtpp -34.53 -56.5 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 m -62.04 -43.22 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 6.1 t80 -56.68 -55.32 35.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.562 ' HG3' HG22 ' A' ' 89' ' ' THR . 22.4 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -67.18 -50.4 61.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -169.21 168.19 9.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.69 162.49 29.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -149.69 152.37 35.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -174.63 166.48 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 -124.0 3.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.416 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.07 129.03 12.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -98.24 130.9 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.95 -178.25 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.9 m-85 -132.03 111.49 14.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.72 148.0 64.35 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.734 2.289 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -114.18 162.71 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -52.43 -44.67 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.3 p -62.95 -31.83 73.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 -23.94 4.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.4 167.69 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 p -133.99 128.2 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.41 162.78 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 m -75.79 -32.36 59.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -116.6 163.4 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.598 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -77.05 -38.19 53.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -63.37 -34.05 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.82 -32.21 65.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.1 tmm_? -81.82 -31.91 31.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -66.11 -52.78 45.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -50.97 -31.53 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.27 -22.16 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 mtp -80.51 -45.65 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 p -63.38 -36.16 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -66.59 -36.0 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.9 m-70 -52.03 -54.08 34.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -44.56 166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.64 115.65 4.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.78 -57.81 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -131.4 148.34 69.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.8 -21.71 32.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 47.9 m-85 -109.99 124.1 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.1 133.34 6.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 19.5 t -79.52 105.4 10.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.25 33.22 2.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -123.23 -43.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -115.99 -38.15 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.2 31.23 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mttm -98.87 176.56 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 17.5 mtpt -155.37 155.94 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.3 m-85 -147.81 144.77 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -68.52 -45.37 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.86 165.1 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -78.65 -36.35 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -71.81 -27.92 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 17.6 m170 -69.29 -25.13 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 38' ' ' TYR . 25.4 tp -83.89 -39.98 19.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.13 -50.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.55 -12.44 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.805 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.7 t60 -107.76 -38.61 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.88 -25.71 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -8.58 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.9 pt -88.28 -18.99 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.411 ' CG ' HG11 ' A' ' 42' ' ' VAL . 83.1 m-70 -106.02 -33.7 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' HIS . 22.3 p -36.71 149.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.53 139.03 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.4 mt -72.52 144.53 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 74' ' ' ARG . 1.4 mptp? -106.48 95.2 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -25.39 28.81 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.284 . . . . 0.0 112.362 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.489 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 4.1 m-85 -104.98 127.72 52.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -137.15 143.62 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 85' ' ' VAL . 2.7 t -64.97 176.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.05 -36.4 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.9 mp -80.26 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.34 -7.51 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.04 29.92 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -66.72 157.34 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 64' ' ' LYS . 39.0 mtp85 -110.2 136.42 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -140.01 131.4 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.0 ptm -80.21 -38.68 30.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 46.5 m95 -80.19 153.87 28.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -85.11 -57.92 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 5.3 m-20 -46.53 -48.1 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -68.96 -39.78 79.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 t80 -55.92 -58.71 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -68.9 -42.2 77.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 27.6 ttm-85 -52.91 -38.47 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -78.91 -58.66 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 81' ' ' PHE . 87.6 t -47.04 -41.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -48.96 -46.91 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -81.64 -47.35 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.16 -31.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . 86.6 m -86.3 -44.79 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' THR . 4.8 mmmm -34.52 -51.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 m -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.5 t80 -52.02 -41.98 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -57.82 -46.21 85.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.78 55.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.53 -34.08 41.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -38.71 -43.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 37.85 39.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -46.95 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -133.85 40.96 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -119.4 94.91 4.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.3 t -73.98 132.92 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.4 m -84.88 90.16 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 133.03 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.05 161.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.5 t -97.32 161.31 13.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.92 128.39 8.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.449 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 179.01 3.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.8 m -131.48 121.43 24.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 p -83.0 0.94 42.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -114.12 -51.73 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -167.78 170.86 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.63 126.42 8.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 p -61.97 -57.06 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -166.67 152.23 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.3 170.08 17.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.53 167.92 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -143.62 157.13 44.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.47 176.47 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -123.16 122.93 26.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.676 0.75 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.24 9.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.74 158.56 15.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -56.22 -41.88 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.56 -28.84 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.09 -27.0 5.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -64.16 167.84 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.3 m -135.33 124.54 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -105.19 148.96 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.4 m -74.36 -26.18 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -111.44 133.64 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.86 -36.31 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -62.06 -39.56 92.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.13 -31.03 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -76.76 -42.84 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -60.58 -53.15 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.514 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 5.4 ptm180 -54.67 -32.28 59.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 2.2 t-80 -79.14 -26.32 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -81.63 -39.11 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -69.78 -35.79 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -67.29 -31.38 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -53.91 -49.86 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.04 164.61 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.4 -41.37 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 4.7 mp -86.96 175.93 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 8.2 mpt_? -132.01 159.01 73.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 54.5 Cg_endo -69.67 -21.54 33.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 64.8 m-85 -104.81 101.1 10.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.09 136.63 12.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.39 103.97 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.38 38.71 2.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 ' CG ' ' A' ' 60' ' ' HIS . 50.9 t -129.54 -45.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 17.1 p -114.35 -36.42 4.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 30.76 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 26.4 mttt -96.19 -179.28 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 31.7 mtmm -157.16 158.03 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 10.3 m-85 -151.78 151.1 30.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -76.12 -44.61 37.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.533 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 8.6 mmt -99.41 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -67.7 -32.27 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -74.21 -33.88 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.52 -25.57 68.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -81.6 -42.8 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' HIS . 43.1 t -53.59 -61.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.59 -27.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.7 t60 -94.31 -40.54 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.54 -27.95 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -56.16 -19.16 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -76.34 -19.35 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 84.2 m-70 -107.09 -40.77 5.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' HIS . 36.1 p -36.08 134.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -89.28 148.8 20.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 63' ' ' ILE . 5.4 mp -35.45 132.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.0 mppt? -104.13 94.85 7.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.499 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 53.4 Cg_endo -69.82 -0.48 7.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.348 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 26.9 m-85 -130.27 143.35 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -148.25 147.91 29.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.48 174.02 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -109.69 -39.63 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.66 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.1 mp -73.51 -63.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.4 p -89.27 -13.06 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.44 29.34 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -65.68 157.86 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -113.29 132.95 55.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -129.1 126.88 40.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.37 -42.74 82.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -94.54 134.87 36.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttm180 -60.79 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ARG . 30.1 t0 -37.77 -44.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -38.36 73.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.0 t80 -57.32 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -57.13 -43.21 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -55.38 -47.68 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.8 t60 -69.85 -64.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 81' ' ' PHE . 46.6 t -39.32 -51.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -44.22 -41.1 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 m -85.2 -41.85 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.5 t -57.29 -23.72 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' LYS . 59.7 m -81.8 -50.57 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 32.8 mtpt -34.69 -46.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -66.22 -50.02 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.8 t80 -56.18 -43.77 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.86 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 12.4 ttmm -40.44 152.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 98' ' ' GLU . . . 69.14 32.73 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 97' ' ' ALA . 22.1 mm-40 30.3 53.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLU . 8.5 tt0 35.97 54.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -80.28 89.7 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 73.8 p -145.48 164.79 30.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.0 m -82.84 46.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -150.7 158.05 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.4 163.81 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -172.47 141.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.67 136.32 24.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -177.66 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 t -146.77 147.69 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 m -159.95 161.0 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.501 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -174.95 176.83 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -170.28 158.44 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.89 175.49 26.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -174.66 128.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -150.5 178.17 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.97 112.66 1.02 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -38.97 136.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -104.8 142.36 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 4.6 mt -148.85 167.08 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.3 m-85 -110.73 114.17 54.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -94.6 161.72 14.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -60.33 -39.02 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 26.8 p -67.36 -31.0 70.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.78 -30.74 3.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.22 160.86 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -133.36 130.81 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 6.5 m-85 -106.33 171.67 7.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.3 m -84.15 -34.34 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -109.85 167.2 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.7 ttpp -79.58 -38.63 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.9 m -62.57 -48.53 79.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.84 -38.42 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.2 tmm_? -76.46 -38.68 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -59.41 -54.62 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 25.9 ptt85 -52.43 -32.13 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.403 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 19.6 t-80 -77.1 -36.81 55.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.444 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 18.7 mtp -64.74 -47.87 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 p -49.11 -37.65 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.0 mtm -52.86 -40.73 63.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 10.1 m-70 -69.43 -39.53 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.95 -177.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.54 -165.62 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 5.4 mt -119.75 77.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 6.3 mpt_? -145.01 144.64 24.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.72 -22.8 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 53.9 m-85 -107.73 143.26 36.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.52 128.14 2.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 t -77.08 105.51 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.0 33.94 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.52 -44.28 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.6 p -114.81 -39.15 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.31 31.03 1.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 31.8 mttt -98.74 176.46 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.607 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.5 mttt -153.84 156.2 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.6 m-85 -145.28 148.56 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG3' ' HG2' ' A' ' 49' ' ' MET . 0.5 OUTLIER -70.39 -44.95 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.537 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 15.9 mmt -100.56 167.55 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.85 -49.79 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.7 OUTLIER -62.4 -35.1 78.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 64.7 m170 -57.75 -30.14 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 38' ' ' TYR . 14.2 tp -83.98 -37.22 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 t -52.8 -60.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.67 -26.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -92.43 -40.81 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -56.55 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -58.64 -16.01 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -84.3 -15.18 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -110.66 20.81 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.6 p -128.65 137.24 51.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.5 142.68 17.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.57 130.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.392 . . . . 0.0 111.073 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -102.15 97.7 8.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.948 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.51 3.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.532 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 31.1 m-85 -137.42 135.01 36.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -144.42 135.14 24.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.35 173.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 1.5 p-10 -111.28 -30.74 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -82.85 -65.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.97 -10.97 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.4 28.73 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 84' ' ' HIS . 16.9 mtmt -72.13 156.71 38.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -113.01 139.79 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -134.05 119.21 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.0 ttp -59.94 -43.25 95.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -81.69 153.16 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -78.47 -53.77 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -36.0 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.9 p -66.66 -28.58 68.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.2 t80 -70.77 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -60.24 -44.27 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -50.85 -44.59 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.544 ' CE1' ' HE3' ' A' ' 73' ' ' LYS . 2.0 t60 -80.17 -57.91 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 81' ' ' PHE . 61.5 t -44.05 -50.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -42.17 -42.27 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -83.47 -54.06 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.1 t -38.59 -35.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.0 m -82.12 -45.68 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' THR . 2.9 mmmm -33.97 -55.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -68.29 -41.3 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.3 t80 -53.99 -51.54 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -53.42 -46.47 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.35 -45.17 54.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.26 -62.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -40.38 -48.01 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.72 47.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.95 -45.52 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -55.43 -46.38 76.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.87 98.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.3 t -63.18 144.19 57.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.415 HG22 ' CD ' ' A' ' 103' ' ' GLU . 21.9 m -98.33 152.87 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' CD ' HG22 ' A' ' 102' ' ' THR . 3.8 pm0 -35.65 146.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.9 152.22 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -106.8 165.43 11.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.1 175.52 19.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.2 p -85.54 153.56 22.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.6 m -132.21 171.67 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.502 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 p -169.21 115.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -170.4 140.78 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.06 -171.11 38.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -107.1 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -131.18 -42.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.2 -146.63 17.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.8 125.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 133.4 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -143.08 161.43 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.2 m-85 -123.2 121.81 26.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.79 125.85 12.6 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 t -96.61 158.99 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -53.99 -47.03 71.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 p -59.39 -27.53 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.18 -26.32 5.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -60.57 174.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 m -142.52 129.49 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -112.4 142.69 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -65.02 -26.51 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -112.72 149.37 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 16.2 tptm -69.33 -38.87 78.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -61.72 -41.72 98.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -62.79 -32.08 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -80.9 -31.94 34.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.51 -55.02 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.51 -32.04 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -74.03 -33.71 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.95 -48.62 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 p -51.59 -43.66 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.3 mtm -48.06 -52.78 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 25.7 m-70 -45.7 -43.79 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.1 mt -81.48 174.61 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.629 ' C ' HD12 ' A' ' 35' ' ' LEU . . . 165.5 73.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.629 HD12 ' C ' ' A' ' 34' ' ' GLY . 7.1 mp -128.21 94.96 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -104.11 126.18 32.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.2 Cg_endo -69.79 -19.93 35.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 44.1 m-85 -98.58 113.48 25.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.85 136.52 8.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 t -82.67 105.84 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.16 29.42 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.85 -42.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.97 -36.73 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.2 31.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 22.0 mttp -97.89 178.67 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 62.8 mttm -158.55 152.62 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.2 m-85 -145.59 148.21 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -72.14 -44.03 63.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 16.6 mtt -95.44 160.51 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 16.8 pttm -70.53 -49.29 49.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 8.9 p-80 -63.24 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.459 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 11.0 m170 -58.75 -25.22 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 29.6 tp -88.17 -38.73 15.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.31 -59.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.35 -19.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.8 t60 -100.6 -36.79 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.35 -27.49 64.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -56.18 -26.33 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' HIS . 2.4 pt -70.82 -16.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -108.91 10.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' MET . 34.1 p -116.74 110.94 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.56 174.48 33.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.39 137.84 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 38.2 mttt -95.7 120.82 62.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 54.0 Cg_endo -69.74 -11.01 29.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.551 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 44.6 m-85 -116.29 160.27 20.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 9.0 tt0 -172.0 141.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.5 t -73.54 172.56 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 -41.5 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.56 -65.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -85.96 -8.3 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.29 26.39 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -64.23 167.65 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 64' ' ' LYS . 44.0 mtp180 -125.82 139.9 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -139.78 136.91 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ttp -82.28 -43.58 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -82.94 149.35 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -77.98 -56.16 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -42.17 -56.17 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -61.31 -37.35 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 44.8 t80 -61.84 -71.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -49.01 -38.85 24.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.61 -39.85 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -74.25 -60.6 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.8 t -42.55 -53.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.8 m -52.49 -47.78 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 t -86.27 30.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 t -126.15 -27.36 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 89' ' ' THR . 44.6 m -89.11 -12.7 40.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -58.11 -53.92 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -72.66 -49.71 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 1.9 t80 -41.19 -49.47 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.0 -39.43 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.43 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.72 97.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -42.47 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.47 63.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -98.59 -41.37 7.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -78.62 -44.3 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 101' ' ' THR . 8.1 t30 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 100' ' ' ASN . 22.0 m -34.28 140.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' THR . 43.6 p -35.79 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -148.08 -177.08 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.51 137.68 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 92.6 p -162.11 170.88 18.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -177.34 135.4 2.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.85 6.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -166.38 148.55 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.0 t -161.94 164.98 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -174.87 146.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -169.05 157.98 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.02 162.47 29.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -133.54 154.96 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -156.85 136.65 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.98 -164.36 22.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -143.22 149.58 38.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -132.95 155.26 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -140.88 176.69 8.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.0 m-85 -115.21 116.48 42.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.706 0.765 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.8 122.54 9.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.3 t -92.43 158.71 15.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -55.66 -45.67 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 29.5 p -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.62 -24.84 4.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.37 161.39 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.5 m -134.39 127.83 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 22.8 m-85 -108.55 159.75 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.9 m -82.91 -22.81 33.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.16 142.43 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.8 tppt? -59.52 -36.94 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -64.29 -53.93 41.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.86 -31.53 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 4.2 tmm_? -79.03 -36.44 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.534 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -64.34 -54.65 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 10.7 ptm180 -51.12 -31.2 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -81.89 -19.66 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mmm -86.96 -35.39 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.8 p -70.61 -29.97 66.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 6.4 ptt? -71.78 -31.87 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.3 m-70 -56.19 -47.5 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.03 176.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -37.89 157.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.36 -174.97 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -112.57 139.06 22.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.4 Cg_endo -69.72 -17.71 37.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 68.8 m-85 -99.01 116.36 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.81 116.25 1.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 t -65.63 107.37 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.62 29.87 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG11 ' CG ' ' A' ' 60' ' ' HIS . 43.0 t -120.68 -43.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.49 -38.52 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.57 30.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 6.5 mtpt -95.99 -176.21 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.606 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 54.1 mttm -160.6 161.07 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 9.7 m-85 -152.14 151.07 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -70.51 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.7 mmt -104.72 164.93 11.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 14.3 ptpt -69.69 -49.07 57.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -55.31 -38.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -60.62 -31.76 70.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 38' ' ' TYR . 38.2 tp -78.12 -41.58 34.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.9 t -53.19 -61.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.81 -23.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.858 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.0 t60 -95.03 -43.35 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.76 -26.89 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.32 -14.77 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.6 pt -81.09 -17.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.1 m-70 -111.58 -52.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -56.68 -176.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.62 54.03 2.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.4 117.94 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 132.59 21.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -44.58 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -138.93 173.97 11.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -162.49 142.52 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.95 174.1 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -108.88 -37.57 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -77.84 -66.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.45 -14.31 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.06 26.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -63.94 155.17 31.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -109.43 136.18 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 81' ' ' PHE . 4.8 m-85 -118.68 -174.95 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -117.48 -32.66 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -127.53 144.75 51.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.66 -55.94 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 27.3 t0 -44.39 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -40.83 80.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.1 t80 -61.9 -61.36 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -61.3 -39.13 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 24.1 ttm180 -53.16 -33.67 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.61 -50.14 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.94 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.5 t -51.49 -40.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -50.61 -27.51 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.2 t -102.3 -43.31 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.5 t -53.59 -19.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 14.0 m -90.87 -45.47 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 7.2 mtpm? -35.75 -57.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -57.42 -46.85 83.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -56.37 -39.27 72.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.34 -33.02 74.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.25 -26.42 47.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.93 -61.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -47.73 166.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.27 38.03 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -58.93 -48.37 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 7.3 pt20 -77.53 -45.05 26.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 99' ' ' GLN . 16.7 m-80 -51.0 -47.56 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -102.47 143.52 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -59.29 85.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -134.98 102.45 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.83 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.8 p -116.06 -175.21 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.44 -64.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' O ' ' C ' ' A' ' 108' ' ' SER . 54.0 Cg_endo -69.78 7.9 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 107' ' ' PRO . 88.7 p -28.35 131.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 t -130.46 129.5 43.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.53 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -174.78 141.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -172.22 176.7 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.38 148.53 5.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -167.17 175.71 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -136.13 162.61 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.16 168.87 33.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' OD1' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -170.56 126.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.81 141.4 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 8.3 mt -151.16 170.31 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.99 125.91 22.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.673 0.749 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -91.06 163.65 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.4 p -63.84 -26.39 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.88 -20.98 7.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -62.34 168.95 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -135.13 126.58 28.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.43 148.49 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -74.13 -26.62 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -109.98 146.55 35.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -66.26 -43.3 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -57.88 -46.92 84.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -55.53 -39.84 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.7 tmm_? -73.04 -40.8 64.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.24 -52.93 63.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -56.49 -30.45 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -83.52 -13.43 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -87.94 -43.47 11.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 t -67.34 -36.18 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -36.95 80.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 28.4 m-70 -56.25 -53.69 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -45.33 170.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.31 -170.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -83.1 -179.31 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.81 156.5 35.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.72 -19.72 35.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 52.8 m-85 -100.89 103.66 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.12 140.49 12.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.8 t -87.21 105.04 16.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 24.66 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.5 t -112.57 -43.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.93 0.395 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 p -116.16 -36.82 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.47 31.41 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.8 mttp -97.0 -179.67 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.5 mttm -158.04 155.79 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 3.8 m-85 -149.98 158.11 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -85.39 -43.32 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 24.0 mmt -96.33 156.27 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -71.39 -30.77 66.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 4.3 p-80 -78.4 -30.82 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 47' ' ' PHE . 31.2 tp -82.88 -40.07 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' HIS . 23.6 t -54.52 -61.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.56 -22.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.2 t60 -95.97 -44.96 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.7 -26.4 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.87 -12.55 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.0 pt -84.04 -16.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.2 m-70 -107.38 -29.83 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -39.66 121.9 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.75 119.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 63' ' ' ILE . 5.4 mp -54.58 118.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 26.9 mmtt -93.76 110.37 47.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 53.6 Cg_endo -69.72 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.29 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 20.1 m-85 -87.5 160.57 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.64 126.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 85' ' ' VAL . 1.6 t -53.36 171.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -113.01 -34.94 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.42 -64.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.9 p -84.86 -10.81 56.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.45 31.37 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -76.65 161.07 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 85.3 mtt180 -115.62 151.19 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 74' ' ' ARG . 63.3 m-85 -148.32 153.08 38.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 12.1 ptm -96.08 -22.55 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 79.6 m95 -95.02 156.36 16.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -89.68 -53.02 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -53.18 -52.53 58.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -60.11 -35.48 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.0 t80 -59.85 -65.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -55.74 -47.5 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.8 -40.93 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.1 t60 -66.8 -52.03 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 81' ' ' PHE . 35.5 t -56.37 -34.09 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -51.23 -41.69 60.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 m -76.67 -31.55 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.9 m -87.34 -53.72 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' THR . 16.6 mtpp -34.4 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -84.59 -50.15 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -48.94 -41.41 33.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -52.62 -29.53 26.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -21.94 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.59 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -54.04 153.01 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.47 38.68 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -76.73 -42.88 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -104.95 42.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -72.3 157.36 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 101' ' ' THR . 23.1 m 51.65 38.46 22.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 m -121.71 123.33 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -93.04 74.23 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.59 169.87 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.4 p -85.72 106.01 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.61 137.53 13.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 178.08 4.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -141.59 155.21 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t 62.53 42.11 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -168.71 167.19 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -168.97 174.29 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 -170.72 26.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -168.25 177.38 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -174.77 173.49 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -78.07 -179.07 49.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -163.36 149.64 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -112.02 160.34 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.96 -178.43 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.1 m-85 -127.96 116.74 20.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.26 39.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.8 t -106.8 163.82 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -56.43 -42.21 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.38 -27.5 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.01 174.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -137.86 133.04 33.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 31.7 m-85 -116.02 144.18 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -61.76 -28.93 69.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -116.11 163.47 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -81.15 -38.35 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -65.75 -37.07 85.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 1.1 tmm_? -71.02 -37.56 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -67.47 -53.67 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.23 -31.68 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -78.38 -29.94 47.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.9 mtp -63.56 -44.23 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -57.17 -41.39 79.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.9 mtp -46.2 -48.46 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 17.7 m-70 -54.82 -28.82 52.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.47 45.61 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.76 162.07 54.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -97.15 45.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -140.18 111.4 7.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 41.0 m-85 -98.08 105.75 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.38 136.69 12.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.12 108.1 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 33.28 2.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.496 HG11 ' CG ' ' A' ' 60' ' ' HIS . 58.8 t -123.92 -46.58 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.23 -36.56 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.34 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 40.2 mttt -96.77 -178.59 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 38.4 mtmt -159.35 153.95 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.2 m-85 -147.93 141.2 25.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -66.49 -43.82 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.1 mmt -95.71 158.07 15.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 18.6 pttp -71.4 -46.35 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.3 p-80 -63.06 -32.22 73.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -61.04 -26.79 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 37.1 tp -82.38 -41.95 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.88 -50.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.32 -12.59 3.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 59' ' ' ILE . 11.7 t60 -108.44 -38.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -57.44 -27.2 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -60.67 -9.48 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.859 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.5 pt -86.38 -17.53 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.4 m-70 -105.84 -38.91 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -40.46 151.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.04 168.08 13.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 65' ' ' PRO . 39.7 mm -67.09 141.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -113.38 70.71 1.5 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.93 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 63' ' ' ILE . 54.1 Cg_endo -69.71 -43.71 2.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 9.8 m-85 -119.41 148.93 42.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 68' ' ' CYS . 28.0 tt0 -152.88 133.8 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 6.0 t -58.86 169.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -107.91 -32.6 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.3 mp -77.94 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.0 p -82.79 -20.52 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 71' ' ' CYS . . . 73.25 25.83 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -63.32 167.67 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -126.74 135.88 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -126.3 165.68 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.6 ttp -115.39 17.19 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -151.16 133.87 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 18.7 tpt180 -58.57 -46.45 86.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -53.2 -53.72 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -59.68 -42.39 92.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.954 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.4 t80 -50.81 -60.04 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -65.85 -44.35 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -51.6 -32.66 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -90.37 -56.84 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 81' ' ' PHE . 24.6 t -48.41 -48.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -46.39 -30.29 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -95.37 -45.53 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.68 -17.59 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.2 m -91.11 -49.82 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 14.8 mtpt -36.03 -61.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.4 m -55.96 -50.36 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.1 t80 -49.89 -59.06 4.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -43.52 -45.79 6.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.24 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -47.88 174.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.12 74.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -85.57 -43.5 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 21.7 pt20 -101.24 -45.79 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 99' ' ' GLN . 5.7 m-20 -53.51 139.2 31.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.0 m -74.01 -51.89 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.7 t -43.97 133.03 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.81 175.89 9.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.72 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.6 p -70.61 171.63 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.67 142.08 15.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -177.89 2.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.299 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.9 p -134.85 163.9 28.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -108.35 169.97 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.529 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -170.73 121.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -140.53 169.68 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.41 -174.59 13.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -154.16 129.25 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -172.09 175.55 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.15 -78.73 1.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.33 153.96 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 149.28 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -133.33 179.62 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 -127.59 99.22 27.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.7 0.762 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.7 136.59 33.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.2 t -93.4 163.77 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -52.42 -46.73 66.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.0 p -59.41 -30.26 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.66 -23.62 4.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 27.7 mtpp -52.76 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.8 m -157.91 122.92 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 7.3 m-85 -113.59 146.67 39.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -63.11 -32.45 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -108.84 161.7 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -80.41 -36.35 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -62.99 -41.64 99.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.18 -35.5 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 5.7 tmm_? -76.04 -30.71 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -56.14 -25.94 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -93.54 -7.69 43.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 mtp -85.87 -55.03 4.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.9 m -56.73 -44.31 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.3 ptm -41.72 -33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m-70 -70.79 -49.85 42.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -65.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . 99.17 -95.24 1.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -123.23 -27.0 4.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 47' ' ' PHE . 41.1 mtt85 -107.31 100.48 33.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.68 -11.47 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 37' ' ' PRO . 44.3 m-85 -106.93 149.36 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.94 145.18 11.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 26.5 t -91.26 103.55 16.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.53 2.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.9 t -128.81 -45.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.2 -37.04 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 31.96 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 17.6 mttp -98.21 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 71.9 mttt -158.02 155.29 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 6.6 m-85 -149.55 146.38 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -73.95 -39.29 63.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 14.1 mmt -98.47 146.79 25.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -64.98 -31.64 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -77.22 -33.91 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -62.15 -25.82 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.9 tp -82.99 -37.77 23.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' HIS . 22.8 t -56.21 -62.68 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.84 -25.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 20.9 t60 -93.62 -44.05 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.65 -27.44 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -58.16 -12.54 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.8 pt -83.54 -18.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' NE2' HD11 ' A' ' 59' ' ' ILE . 79.9 m-70 -109.99 -42.76 4.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -64.95 115.84 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 167.71 34.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.412 HG22 ' HD3' ' A' ' 65' ' ' PRO . 81.6 mt -104.09 137.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.3 mppt? -112.58 78.05 2.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD3' HG22 ' A' ' 63' ' ' ILE . 53.8 Cg_endo -69.78 -9.23 25.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.302 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 6.0 m-85 -116.15 158.76 22.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -161.0 142.14 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 t -64.75 175.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.855 ' OD1' HD12 ' A' ' 70' ' ' ILE . 7.6 p-10 -112.09 -32.43 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.855 HD12 ' OD1' ' A' ' 69' ' ' ASN . 5.4 mp -83.09 -63.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.74 -0.83 57.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 50.21 29.74 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -67.52 162.31 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -116.78 137.18 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -132.08 155.98 47.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.7 ttp -100.33 -45.44 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -85.29 135.81 33.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 66' ' ' TYR . 13.5 tpt180 -64.12 -49.13 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.69 -40.49 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -71.89 -44.98 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.5 t80 -50.73 -57.49 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -67.49 -41.0 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -51.66 -49.62 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -72.27 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 81' ' ' PHE . 58.0 t -42.91 -42.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -48.02 -46.95 33.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.9 t -81.81 -49.87 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.9 t -42.23 -30.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.567 HG22 ' HG3' ' A' ' 93' ' ' GLU . 7.5 m -81.29 -46.3 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 20.7 mmmt -34.4 -57.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.1 m -57.06 -52.22 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.51 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.567 ' HG3' HG22 ' A' ' 89' ' ' THR . 45.3 mt-10 -46.53 -43.68 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' GLU . . . -61.7 -47.78 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -74.43 166.43 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 99' ' ' GLN . . . 60.29 35.55 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 31.2 mt-10 -58.79 81.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' ALA . 34.5 mm-40 38.62 40.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 102' ' ' THR . 5.1 p30 -46.8 162.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 t -51.28 136.03 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 100' ' ' ASN . 57.9 p -138.76 124.4 19.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 86.65 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.45 147.48 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -141.0 151.29 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.63 68.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.05 39.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.4 p -108.89 146.63 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -58.69 161.65 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.492 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -174.07 119.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -138.91 175.41 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.27 149.78 5.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -174.2 157.13 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 p -169.12 160.46 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 170.92 159.36 16.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.1 m-20 -163.33 174.62 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -159.96 160.12 33.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -145.08 177.08 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -125.81 119.9 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.651 0.739 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.29 25.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.606 2.204 . . . . 0.0 112.362 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -111.68 152.48 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -47.07 -47.65 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -55.28 -29.73 58.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.32 10.85 14.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -91.37 179.78 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -142.92 115.2 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.98 173.67 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -93.44 -27.04 16.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -114.36 158.54 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -72.32 -52.93 13.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 t -51.58 -45.51 63.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.29 -46.06 76.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -70.02 -39.72 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -61.64 -52.65 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 7.3 ptp180 -57.57 -34.93 69.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 4.0 t-80 -67.76 -39.05 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -62.8 -46.72 86.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 m -55.47 -43.38 75.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 28.3 mtm -49.23 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' MET . 12.8 m-70 -34.73 -45.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -67.18 75.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.35 58.04 0.1 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HE2' ' A' ' 46' ' ' LYS . 19.6 mt -151.93 138.69 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.81 134.01 75.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 53.7 Cg_endo -69.79 -10.26 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 47' ' ' PHE . 20.4 m-85 -94.77 37.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.66 116.1 7.14 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 t -64.99 108.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.45 31.95 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.1 t -121.72 -41.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.5 p -120.59 -40.99 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.83 30.6 1.22 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -97.06 177.86 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mtmp? -147.58 163.42 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' ' 53' ' ' LEU . 10.4 m-85 -159.67 116.8 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -53.3 -34.11 56.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.8 mmt -102.55 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -89.06 -27.28 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.452 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 12.3 p-80 -82.42 -29.38 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 8.3 m170 -65.8 -25.73 67.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 47' ' ' PHE . 21.6 tp -82.88 -41.18 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.91 -58.33 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.75 -21.85 0.64 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 59' ' ' ILE . 8.2 t60 -96.69 -44.13 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' HG22 ' A' ' 61' ' ' THR . 0.1 OUTLIER -50.26 -31.73 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 61' ' ' THR . 33.8 mttm -51.55 -30.15 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -66.16 -35.88 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 71.2 m-70 -83.12 -58.08 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 57' ' ' MET . 5.2 t -58.88 126.32 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.81 -106.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.88 114.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -109.61 77.53 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.93 5.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 8.6 m-85 -90.78 159.18 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -160.78 129.76 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.78 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.82 -40.06 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -72.66 -59.95 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.69 -7.64 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.5 25.97 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -57.67 163.15 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.59 123.29 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.29 171.77 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 ttp -111.43 -48.86 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -81.05 137.14 36.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttp180 -62.75 -56.12 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -44.49 -58.01 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.9 m -59.28 -40.68 86.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 85' ' ' VAL . 4.7 t80 -57.66 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -57.03 -42.43 80.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -52.52 -53.54 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.8 t60 -65.6 -54.37 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 81' ' ' PHE . 61.4 t -47.44 -44.58 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.8 m -50.86 -59.5 4.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -65.36 -35.21 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.8 t -54.47 -21.09 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.509 HG22 ' HG3' ' A' ' 93' ' ' GLU . 6.5 m -89.02 -49.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.6 OUTLIER -35.52 -33.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' THR . 3.1 m -85.9 -53.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.8 t80 -48.88 -45.22 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.509 ' HG3' HG22 ' A' ' 89' ' ' THR . 25.2 mt-10 -41.06 -43.28 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.47 87.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' TYR . . . -73.48 -35.47 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 97' ' ' ALA . 2.9 ttmp? -39.75 159.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.485 ' N ' ' HG2' ' A' ' 96' ' ' LYS . . . -102.33 77.07 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -79.31 42.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 55.79 47.69 19.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -75.97 162.83 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.7 p -51.36 114.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.5 t -45.05 165.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 66.91 40.66 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.46 82.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLY . 12.4 t -170.4 148.83 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' SER . . . -36.58 146.72 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -46.56 1.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.2 p -170.95 139.85 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -125.69 149.27 48.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.485 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -164.73 120.39 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -104.35 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.42 -161.31 9.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -155.23 175.99 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -165.67 174.88 9.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.53 -36.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 69.18 38.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.02 163.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.84 170.63 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 16.7 m-85 -130.28 124.42 21.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.651 0.739 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.39 35.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.54 152.62 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.07 -49.82 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 p -52.33 -31.5 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.94 8.31 13.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.81 174.4 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -137.08 113.2 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -94.17 175.26 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -95.29 -28.67 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -114.01 138.64 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 ttpp -54.43 -43.26 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 p -56.19 -60.66 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -45.24 -39.67 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.3 tmm_? -73.15 -35.73 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -68.64 -54.5 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -57.52 -32.59 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 9.8 t-80 -71.53 -33.85 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.448 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 20.9 mtp -65.72 -48.29 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.2 m -54.54 -41.04 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.8 mtm -49.81 -47.39 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 17.8 m-70 -52.9 -57.5 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.93 -57.81 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.9 177.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.43 141.05 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -86.44 135.38 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.76 -22.74 31.66 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.499 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 58.7 m-85 -99.62 116.87 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.77 137.27 9.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 107.03 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.2 30.41 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 60' ' ' HIS . 55.9 t -120.3 -44.55 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.1 p -114.67 -36.03 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.72 31.13 2.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 39.6 mttt -96.26 179.38 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.2 mttp -158.73 152.83 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.3 m-85 -146.47 145.68 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -73.85 -42.45 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.402 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 20.9 mmt -93.29 159.67 15.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -74.88 -47.34 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.491 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -69.57 -10.79 59.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 7.9 m170 -80.9 -23.54 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 tp -86.41 -42.03 13.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 t -52.27 -58.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.2 -23.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.863 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -96.74 -43.65 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.5 -27.24 10.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -58.79 -11.01 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.863 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -86.35 -16.97 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CG ' HG11 ' A' ' 42' ' ' VAL . 91.1 m-70 -108.85 -35.3 6.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 39.4 p -37.66 120.29 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.12 172.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.72 126.51 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -83.9 121.72 75.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 54.0 Cg_endo -69.78 -29.12 24.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 32.8 m-85 -107.89 157.35 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 7.0 tt0 -165.32 143.21 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.8 t -72.56 166.29 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.38 -25.96 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -82.14 -65.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -87.19 -12.79 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.58 33.09 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -71.41 165.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -119.7 139.58 52.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 6.3 m-85 -131.26 152.5 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 ttp -108.96 15.48 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -149.12 145.62 27.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -70.12 -56.78 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.01 -49.73 30.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.5 m -65.05 -44.57 88.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.9 t80 -51.81 -58.14 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -65.41 -42.05 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -49.28 -39.77 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 4.8 t60 -85.35 -61.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 54.3 t -38.92 -49.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -45.88 -56.07 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -68.69 -44.73 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.95 -32.23 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TYR . 3.1 m -78.74 -50.62 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 29.2 mtpt -35.83 -46.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -68.93 -43.14 75.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.7 t80 -58.14 -47.68 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -69.76 -38.0 76.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.1 86.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.96 93.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -92.05 149.65 21.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.5 44.42 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -72.29 -44.45 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -46.01 -47.82 16.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.9 168.84 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.8 m -98.01 152.2 19.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 103' ' ' GLU . 8.5 t -39.43 134.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 102' ' ' THR . 22.3 mt-10 -36.77 127.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.86 170.11 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.7 t -47.21 -55.02 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 133.92 120.3 2.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -179.48 2.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -45.32 128.78 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -76.9 -50.59 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.504 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -169.89 164.95 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -174.09 177.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.77 176.24 39.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -149.63 175.4 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -152.78 176.38 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.99 136.43 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.71 175.86 5.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.356 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -163.41 156.55 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.9 -177.88 5.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 8.1 m-85 -131.34 103.15 15.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.748 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.11 46.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.27 163.36 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.4 -46.98 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -58.24 -32.76 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.98 -20.23 5.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -60.18 -175.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -154.84 127.09 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.78 161.83 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 m -72.39 -32.26 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -116.12 164.04 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.57 -36.04 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 p -64.85 -34.12 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -74.53 -29.59 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.9 tmm_? -83.72 -31.43 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -64.66 -52.68 56.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -49.15 -29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.96 -24.42 33.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mtp -81.87 -37.43 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -69.92 -33.89 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 2.2 ptt? -69.6 -31.53 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 31' ' ' MET . 15.6 m-70 -56.03 -44.48 78.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.02 105.16 3.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.34 150.13 8.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.8 mt -49.98 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -139.68 137.74 19.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.1 Cg_endo -69.82 -23.26 30.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.264 . . . . 0.0 112.285 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 67.1 m-85 -102.92 161.88 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.77 136.56 4.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -84.89 105.15 15.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.56 37.5 2.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -129.3 -45.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.1 p -112.71 -39.06 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 50.6 mttt -100.63 179.44 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 9.7 mtmp? -158.1 154.92 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 2.9 m-85 -143.88 140.76 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -66.91 -43.43 83.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mtt -97.3 155.48 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -66.83 -60.98 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -14.99 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 14.4 m170 -77.18 -24.07 51.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 47' ' ' PHE . 33.6 tp -86.36 -39.75 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' HIS . 15.2 t -52.99 -61.28 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.875 ' O ' HG23 ' A' ' 59' ' ' ILE . 18.2 t60 -93.7 -43.24 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.55 -27.22 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -57.97 -14.58 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.875 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.7 pt -80.73 -17.93 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.8 m-70 -111.52 -49.35 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.4 p -61.18 85.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.53 155.56 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.0 mt -128.83 122.07 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -102.6 109.29 60.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.51 10.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 1.8 m-85 -93.85 146.32 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.1 t -61.29 168.95 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 2.1 p-10 -109.38 -24.74 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.4 -66.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -83.52 -13.39 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.56 34.41 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -77.16 164.36 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HB3' ' CB ' ' A' ' 64' ' ' LYS . 55.4 mtt180 -113.24 128.71 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -134.27 105.97 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.553 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.9 ppp? -61.83 -32.82 73.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.553 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 32.9 m95 -82.38 127.42 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 23.3 ttm-85 -64.24 -44.91 90.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -56.56 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -62.04 -44.58 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.917 ' O ' HG23 ' A' ' 85' ' ' VAL . 16.2 t80 -50.86 -58.13 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.422 ' CE1' ' NH1' ' A' ' 78' ' ' ARG . 66.7 m80 -68.59 -41.38 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -57.96 -30.98 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.9 t60 -89.98 -54.4 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 81' ' ' PHE . 48.9 t -49.91 -44.87 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 t -49.75 -26.84 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -98.84 -47.42 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.96 -23.78 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . 19.5 m -87.47 -51.15 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' THR . 37.1 mttp -34.27 -49.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 m -68.86 -49.89 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -49.72 -55.2 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -60.8 -41.03 94.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.06 -51.26 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.85 56.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -51.24 -44.62 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.31 -17.94 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -84.68 -43.79 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 40.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -80.42 148.81 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.0 m -128.33 152.94 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 49.1 p -68.28 114.57 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.8 149.27 51.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -113.04 129.94 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.9 p -70.25 107.44 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -41.53 146.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.92 15.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.631 2.221 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 t -168.27 165.21 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.9 p -163.68 169.62 18.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.539 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -173.34 176.54 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -172.73 175.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.16 -166.07 16.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -174.55 154.22 2.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -160.43 163.91 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 166.66 39.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -158.65 125.07 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -85.16 161.75 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 20' ' ' THR . 4.1 mt -142.05 161.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.4 m-85 -124.16 122.37 26.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.218 . . . . 0.0 112.397 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 t -97.72 163.11 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -58.88 -38.15 78.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.5 p -69.22 -28.0 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.25 -24.38 5.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -61.42 176.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -141.64 133.51 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -117.42 136.96 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.406 ' HA ' HD23 ' A' ' 10' ' ' LEU . 98.4 m -55.86 -29.28 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -115.59 156.73 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.5 tttp -69.04 -59.77 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -43.09 -42.53 4.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.51 -35.83 74.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 26' ' ' ASP . 3.5 tmm_? -74.44 -41.94 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 9.1 t0 -61.09 -56.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -49.17 -34.47 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -72.56 -34.03 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.434 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 32.0 mtp -67.53 -41.83 83.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -56.75 -35.69 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtm -62.56 -39.19 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.0 m-70 -54.83 -58.89 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.09 93.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' HIS . . . 149.58 45.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.35 169.75 13.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -86.36 151.3 53.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.843 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.5 Cg_endo -69.82 -23.24 30.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 59.7 m-85 -101.16 111.33 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.64 139.39 11.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -85.94 105.5 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.54 34.02 2.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' A' ' 60' ' ' HIS . 48.3 t -123.91 -44.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 p -114.88 -40.1 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.05 31.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -98.28 -177.95 3.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.3 mtmm -156.91 159.4 38.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 13.4 m-85 -151.07 149.08 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -44.12 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.584 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 4.9 mmt -103.46 156.17 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.67 -46.25 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -60.97 -40.21 92.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 29.2 m170 -55.37 -30.02 59.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 47' ' ' PHE . 23.3 tp -82.91 -39.15 21.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.1 t -55.16 -62.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.15 -24.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.4 t60 -95.15 -43.47 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.68 -27.46 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -58.29 -11.35 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -85.61 -17.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.484 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 -107.75 -36.32 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.3 p -38.25 124.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.15 110.32 2.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLY . 6.2 mt -37.18 138.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 111.139 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 128.0 26.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.73 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -121.7 177.49 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -166.74 141.66 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.0 171.5 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -109.2 -29.61 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.81 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.8 p -85.7 -5.24 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.71 29.74 14.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -67.17 163.71 19.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -114.63 136.4 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -126.94 142.76 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 ttt -87.71 -37.38 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -102.04 147.46 26.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.89 -50.23 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -50.51 -48.53 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -67.74 -34.92 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 85' ' ' VAL . 6.3 t80 -57.72 -66.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -57.95 -44.0 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -46.36 -44.35 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -80.52 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' CE1' ' A' ' 81' ' ' PHE . 43.5 t -42.8 -42.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.26 -42.52 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.1 m -80.84 -47.91 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.08 -18.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 90.6 m -89.06 -51.96 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' THR . 41.0 mttt -33.98 -57.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -55.21 -47.84 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.4 t80 -58.47 -44.08 89.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 36.8 mt-10 -55.57 -49.3 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.95 -26.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.93 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' GLU . 35.9 mtpt -52.15 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.22 75.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -50.41 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.74 64.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.49 ' O ' HG22 ' A' ' 102' ' ' THR . 1.2 t-20 -98.57 142.38 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.3 m -49.73 88.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 100' ' ' ASN . 7.2 t -128.49 130.75 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -46.32 112.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.41 144.31 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.1 t -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.01 140.45 10.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -175.73 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -166.93 138.59 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m -167.28 175.86 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.517 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 146.47 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -129.96 -55.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.07 173.95 19.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -165.42 156.75 14.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -140.78 117.54 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.87 150.55 9.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.1 166.28 30.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.5 160.02 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mt -144.09 176.69 9.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 -127.19 114.4 21.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 141.87 46.37 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.86 161.57 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -48.9 -44.45 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 20.2 p -65.04 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.52 -19.67 6.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -59.4 172.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -136.01 127.26 28.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 19.4 m-85 -113.36 144.01 43.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -63.37 -23.53 67.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.05 163.56 20.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.79 -41.9 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -60.62 -32.95 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.54 -34.29 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 5.5 tmm_? -74.32 -39.59 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.1 -54.09 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -49.45 -30.91 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -79.54 -26.57 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.442 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 27.3 mtp -68.0 -48.24 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -49.3 -45.28 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.8 mtm -46.58 -46.1 19.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 20.9 m-70 -51.1 -30.53 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.22 112.02 21.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.86 70.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.69 107.94 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -114.6 116.12 43.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.83 -17.12 37.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 70.7 m-85 -102.34 118.82 37.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.91 145.03 16.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 t -90.26 108.01 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 32.65 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.5 t -122.37 -49.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 p -110.79 -36.93 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.36 31.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 1.5 mtpm? -95.71 -177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 73.7 mttt -161.16 149.74 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 6.9 m-85 -141.83 151.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -78.28 -43.24 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 6.5 mmt -96.5 155.52 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -70.01 -43.27 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.51 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -74.01 -7.23 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 6.8 m170 -86.04 -20.45 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 47' ' ' PHE . 22.2 tp -90.24 -37.05 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.64 -60.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.9 -24.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.3 t60 -93.16 -43.88 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.49 -27.47 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -58.59 -10.89 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.2 pt -85.49 -17.71 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' HG11 ' A' ' 42' ' ' VAL . 80.5 m-70 -110.08 -43.22 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.3 p -64.17 108.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.12 106.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.4 149.92 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -104.0 101.29 24.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.573 0.701 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -42.84 2.98 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 32.1 m-85 -151.55 153.06 33.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -153.38 135.25 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 171.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.73 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.99 -67.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.23 -10.97 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 27.31 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -66.28 165.27 14.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 12.6 mtp-105 -115.93 140.65 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -134.9 119.97 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -64.29 -40.61 96.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.89 158.55 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 37.2 ttp85 -84.9 -52.65 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -44.98 -37.78 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -78.07 -33.08 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CE1' HG21 ' A' ' 85' ' ' VAL . 30.2 t80 -59.03 -63.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -59.88 -40.62 89.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -53.02 -38.57 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 8.6 t60 -84.94 -66.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.6 t -34.68 -48.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -47.59 -46.23 28.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' HIS . 41.1 m -78.95 -37.14 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.8 t -61.15 -30.47 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.9 m -81.8 -48.37 11.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 8.1 mtpm? -36.03 -49.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -64.77 -53.69 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -50.22 -52.33 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.49 -48.43 77.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.78 -40.86 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.25 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -48.74 161.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.15 43.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -42.93 -45.88 5.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -132.12 82.65 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -120.87 163.35 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -112.72 151.5 30.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 93.7 m -64.24 110.08 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -112.36 82.04 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.42 158.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.0 t -151.68 153.0 33.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.39 121.62 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.5 m -97.63 140.12 32.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.4 p -79.67 -53.39 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.48 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -173.26 166.62 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -174.53 177.78 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 160.0 31.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -158.52 153.71 25.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -125.38 179.45 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.71 177.33 36.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -119.85 174.87 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 mppt? -96.54 155.98 16.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 2.2 mt -145.42 166.69 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.62 120.8 21.99 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.712 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.73 121.29 7.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -93.83 159.69 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -54.98 -47.29 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.7 p -58.26 -27.95 64.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.55 -23.19 6.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -62.82 173.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 m -142.54 125.07 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -108.72 145.93 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 m -70.81 -27.57 63.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -109.61 153.03 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -72.52 -40.9 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.3 m -58.42 -42.77 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -63.72 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.8 tmm_? -74.46 -38.87 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.52 -51.9 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -55.58 -30.53 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -85.23 -13.57 49.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.5 mtp -88.23 -41.8 12.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -69.91 -33.96 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 1.6 ppp? -63.88 -35.49 80.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 18.9 m-70 -56.46 -53.56 55.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -54.48 133.27 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.85 -149.69 5.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -132.35 153.35 50.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 1.7 mpt_? -137.94 150.51 67.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.67 0.747 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.0 Cg_endo -69.82 -21.6 32.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 48.2 m-85 -101.55 118.96 38.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.26 145.56 17.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -91.33 104.31 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.12 35.81 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 60' ' ' HIS . 52.9 t -126.18 -45.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.49 -36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.63 32.17 1.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.4 mttp -98.14 179.53 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 74.0 mttt -160.24 151.86 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 4.9 m-85 -146.67 147.34 30.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -76.0 -38.53 57.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 51' ' ' HIS . 46.4 mtt -94.15 150.34 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -73.29 -28.3 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.466 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.2 p-80 -81.77 -21.26 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -73.27 -33.59 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.68 -40.85 65.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' HIS . 11.6 t -54.89 -61.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.57 -24.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' ILE . 22.1 t60 -94.57 -43.23 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.97 -26.94 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -56.65 -19.59 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -78.69 -16.62 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.0 m-70 -109.82 18.14 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.7 p -122.67 76.23 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.28 -73.81 1.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 mt -47.13 143.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -160.76 132.9 4.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.468 ' HB2' ' CD2' ' A' ' 66' ' ' TYR . 53.9 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 65' ' ' PRO . 17.5 m-85 -133.94 174.05 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -171.8 139.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.45 169.01 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -108.17 -27.57 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -82.32 -67.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 p -85.6 -7.68 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.68 25.8 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -66.26 157.06 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -115.19 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' PRO . 59.4 m-85 -123.11 149.15 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.437 ' CG ' ' CD1' ' A' ' 77' ' ' TRP . 22.4 ptm -91.47 -43.27 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.437 ' CD1' ' CG ' ' A' ' 76' ' ' MET . 82.6 m95 -81.9 162.28 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -90.64 -47.7 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.31 -48.07 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -64.02 -40.04 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t80 -55.42 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -57.92 -37.37 73.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -56.96 -46.83 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.13 -58.82 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 81' ' ' PHE . 43.3 t -44.74 -44.04 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -49.29 -43.35 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -50.01 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.0 t -44.49 -32.19 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.4 m -79.31 -46.29 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' THR . 5.0 mmmm -33.76 -50.97 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 t -68.64 -43.32 76.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 89' ' ' THR . 5.1 t80 -56.85 -53.53 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 89' ' ' THR . 20.4 mt-10 -60.48 -45.83 92.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -42.68 -55.57 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.27 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -40.08 159.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.797 ' HB1' ' HB2' ' A' ' 100' ' ' ASN . . . -92.85 70.58 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -72.99 -47.94 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.09 41.96 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.797 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 48.8 t30 -84.85 42.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 75.2 p -103.54 146.14 28.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.3 p -51.35 167.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.87 173.34 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.71 174.65 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.3 p -117.24 98.87 6.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 107' ' ' PRO . . . -82.63 111.39 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 106' ' ' GLY . 54.2 Cg_endo -69.7 175.76 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.378 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -49.44 110.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -63.71 169.47 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.494 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -168.43 172.8 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -174.71 169.52 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.13 176.32 47.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -163.71 175.13 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -168.61 175.13 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.36 -170.91 30.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -127.82 163.27 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -149.84 156.72 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -142.88 170.7 15.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.5 m-85 -110.27 113.55 56.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.712 0.768 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.74 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 t -86.4 159.77 19.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -56.75 -41.03 76.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -66.28 -30.82 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.99 -26.04 4.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.21 176.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -148.35 116.31 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.3 172.2 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -90.89 -26.13 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -120.21 155.65 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -67.96 -37.89 82.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -63.49 -43.64 96.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.7 -34.08 75.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.3 tmm_? -81.63 -33.6 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.01 -54.43 45.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.75 -32.7 31.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.401 ' HA ' ' SD ' ' A' ' 31' ' ' MET . 3.1 t-80 -82.0 -19.77 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 mtp -86.13 -31.36 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -71.27 -34.23 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 28' ' ' HIS . 3.5 ptm -67.27 -31.7 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.25 -44.48 97.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.41 -179.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -120.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 mp -132.09 159.31 39.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 155.06 38.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.74 -9.43 26.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.686 ' HB3' HD22 ' A' ' 53' ' ' LEU . 50.2 m-85 -106.77 37.59 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 120.32 16.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.6 106.99 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.95 25.54 3.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.3 t -115.15 -42.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.0 p -117.73 -37.93 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.23 24.61 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 43.6 mttt -89.98 179.55 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.642 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 29.2 mttp -153.29 161.39 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.9 m-85 -157.9 144.3 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -76.11 -38.91 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.496 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 21.9 mmt -103.21 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 17.0 ptpt -77.38 -51.43 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 8.5 p-80 -55.32 -39.21 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -55.79 -38.89 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 38' ' ' TYR . 42.1 tp -74.11 -46.93 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.4 -55.79 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -48.41 -20.73 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -97.48 -46.49 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.554 ' O ' HG22 ' A' ' 61' ' ' THR . 0.1 OUTLIER -47.72 -34.65 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -48.35 -28.84 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -66.19 -34.61 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' ILE . 66.7 m-70 -84.99 -66.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -48.61 124.05 7.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.13 148.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -87.5 150.39 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.705 ' HZ1' ' N ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -97.16 107.82 40.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 53.6 Cg_endo -69.72 -49.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.737 2.292 . . . . 0.0 112.346 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 21.2 m-85 -87.28 151.63 22.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -165.72 137.91 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.33 176.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.65 -40.32 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -70.26 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -88.77 -8.24 54.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.47 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -68.01 165.52 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -124.33 133.34 53.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.54 127.91 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.705 ' N ' ' HZ1' ' A' ' 64' ' ' LYS . 17.2 ptm -74.56 -31.84 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 72.8 m95 -87.8 148.91 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -79.49 -71.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' ARG . 22.1 t0 -35.36 -50.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -63.35 -40.61 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 85' ' ' VAL . 10.0 t80 -58.38 -65.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -56.09 -47.24 78.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -49.87 -44.01 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.81 -59.75 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 81' ' ' PHE . 45.7 t -41.3 -44.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.7 m -51.78 -54.36 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -68.47 -48.85 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.72 -40.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' LYS . 10.8 m -75.29 -49.29 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' THR . 48.3 mttm -36.47 -44.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 1.9 m -72.27 -44.92 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -55.38 -53.63 53.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -47.98 -42.06 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 91' ' ' SER . . . -48.38 -49.14 35.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.69 -59.88 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -39.52 138.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.45 41.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -47.42 -44.65 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -53.98 -47.91 70.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -46.95 98.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' THR . 20.5 m -138.99 139.65 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' THR . 81.7 p -36.21 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.62 162.67 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.39 151.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -49.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.46 137.91 5.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.53 27.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.8 p -89.82 167.31 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.34 166.04 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.497 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -172.07 172.25 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -172.53 176.9 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 166.38 35.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -174.99 177.21 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -167.58 171.18 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.49 179.12 40.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.456 ' OD2' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -146.32 131.98 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 3.2 tppt? -96.0 142.72 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 5.4 mt -149.71 170.71 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 3.1 m-30 -113.04 98.51 45.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.649 0.738 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.71 138.6 38.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 t -97.43 160.01 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.42 -42.51 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HE3' ' A' ' 17' ' ' LYS . 11.7 p -59.88 -34.99 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.91 -19.32 4.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HE3' ' SG ' ' A' ' 15' ' ' CYS . 21.2 mtmt -63.88 -175.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.9 p -151.79 126.86 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.1 m-85 -115.73 157.41 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -83.62 -19.42 35.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -122.56 133.57 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -32.22 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -62.46 -25.91 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.38 -34.23 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.2 tmm_? -75.83 -33.41 60.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.57 -51.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -54.07 -34.05 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -75.96 -26.13 56.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.1 mtp -70.51 -52.96 18.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.752 ' HA ' HD12 ' A' ' 33' ' ' LEU . 75.5 p -46.04 -42.28 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.7 mtm -48.99 -47.42 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -60.88 -48.52 81.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 30' ' ' SER . 24.5 mt -50.38 175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.17 84.96 1.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -151.89 177.23 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -93.71 144.74 28.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.76 -25.21 28.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 78.2 m-85 -96.73 117.77 31.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.33 131.47 5.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 t -76.63 104.3 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.05 35.84 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.0 t -126.09 -43.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.25 -37.78 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.03 1.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -97.69 -179.96 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.9 mttt -155.93 160.71 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.4 m-85 -152.23 155.22 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -73.84 -45.33 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.428 ' CB ' ' NE2' ' A' ' 51' ' ' HIS . 6.6 mmt -109.29 173.29 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -81.06 -28.97 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.459 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.6 p-80 -74.23 -25.71 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -75.63 -30.6 59.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.579 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 19.7 tp -83.16 -34.71 25.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.84 -60.55 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.71 -22.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.0 t60 -95.84 -39.5 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.09 -27.63 46.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -55.84 -26.18 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.2 pt -71.07 -17.86 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.425 ' CG ' HG11 ' A' ' 42' ' ' VAL . 81.8 m-70 -108.46 13.3 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.4 p -120.67 113.04 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.59 -137.88 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.19 136.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -116.62 88.29 24.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 64' ' ' LYS . 53.4 Cg_endo -69.81 -43.16 2.77 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -124.41 148.79 47.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.35 149.06 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.33 173.78 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -109.1 -34.9 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.7 mp -78.39 -63.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.4 p -89.21 -14.13 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.0 27.36 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -63.22 161.23 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -112.48 134.15 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -133.65 137.27 45.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 28.4 ptm -81.27 -43.37 19.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 40.2 m95 -77.33 169.36 18.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -99.19 -48.29 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.11 -49.21 74.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 m -61.37 -41.46 97.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.801 ' O ' HG23 ' A' ' 85' ' ' VAL . 12.2 t80 -56.06 -61.89 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.01 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -52.01 -52.84 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.3 t60 -63.99 -58.83 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 81' ' ' PHE . 53.9 t -45.43 -38.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.3 m -58.68 -54.69 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -73.37 -21.76 60.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.27 -13.24 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -89.02 -45.67 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.71 -43.07 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -68.17 -39.31 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.89 -48.78 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.05 -36.13 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.87 -30.69 69.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.25 -58.84 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -52.76 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -119.32 81.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 99' ' ' GLN . 14.7 pt-20 -41.08 -38.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 7.3 pt20 -113.73 85.85 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -164.81 140.31 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -48.11 137.07 10.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.3 p -91.09 145.87 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -155.15 142.28 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.09 176.04 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 p -152.38 139.43 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 133.44 11.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.41 5.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t -131.56 153.69 49.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 t -131.58 170.88 14.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.516 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -174.7 173.76 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -159.68 178.49 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.12 175.06 34.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 m -164.23 169.95 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -174.39 139.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -66.5 179.64 11.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 2.2 m-20 -162.48 138.96 7.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -130.28 155.9 45.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.75 171.44 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 22' ' ' LYS . 8.2 m-85 -116.38 120.46 34.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.713 0.768 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.5 Cg_endo -69.78 123.12 9.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.97 154.47 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -48.83 -48.81 41.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 22.0 p -58.34 -32.16 68.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.37 -21.81 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -63.91 162.1 14.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 p -132.21 121.39 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -102.38 165.84 10.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -91.03 -25.76 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -111.43 139.98 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 4.2 tppp? -60.27 -39.04 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -59.14 -48.89 79.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -56.26 -42.26 77.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 4.0 tmm_? -71.11 -39.99 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.62 -47.44 85.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.45 -41.04 96.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.8 -19.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mtp -71.76 -59.53 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.507 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 54.7 p -54.78 -40.36 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 mtp -45.01 -24.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 77.0 m-70 -85.62 -33.36 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.5 pp -112.02 23.26 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -100.42 -159.55 28.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.23 155.87 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.35 129.65 22.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.2 Cg_endo -69.73 -17.08 37.91 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.382 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 68.3 m-85 -109.22 138.83 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.22 136.09 6.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 21.6 t -81.66 105.84 13.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.37 38.67 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.92 -46.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 p -113.58 -35.14 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.32 30.52 2.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -96.06 -178.2 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.8 mttm -156.08 164.29 38.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.4 m-85 -157.03 151.98 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -77.45 -44.35 29.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.566 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.6 mmt -98.9 151.99 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.13 -33.17 75.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 4.1 p-80 -77.25 -26.32 52.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -67.49 -25.8 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 47' ' ' PHE . 28.2 tp -84.58 -39.13 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 t -53.8 -59.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.41 -24.03 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -94.07 -44.63 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -50.41 -29.67 10.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HA ' HG22 ' A' ' 61' ' ' THR . 76.8 mttt -54.18 -28.74 42.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -64.55 -27.94 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -93.86 -55.82 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 58' ' ' LYS . 10.8 t -66.94 145.02 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.4 144.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -97.37 125.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 34.1 pttt -103.97 106.14 51.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 66' ' ' TYR . 54.1 Cg_endo -69.76 -19.11 36.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 65' ' ' PRO . 62.0 m-85 -160.81 143.37 12.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.1 tm-20 -147.39 124.48 11.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 3.9 t -51.7 169.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -110.26 -32.36 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.36 -66.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 p -85.35 -13.43 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 33.38 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -75.06 160.52 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -111.43 141.2 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -133.83 153.91 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -47.58 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -92.0 140.22 29.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 21.4 ttt85 -66.97 -47.52 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -51.74 22.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.0 t80 -57.94 -61.78 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.29 -44.65 88.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -52.27 -41.77 63.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -78.53 -56.71 4.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 37.7 t -46.28 -42.3 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -50.06 -55.78 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' LYS . 1.3 t -72.36 -53.63 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' SER . 30.7 t -37.78 -34.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.1 m -83.35 -40.56 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 3.1 mmmp? -37.83 -46.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -44.61 29.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' ALA . 13.0 t80 -51.02 -52.71 40.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.06 -42.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.48 95.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -68.01 -44.56 76.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -35.12 -44.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 96' ' ' LYS . . . 68.25 45.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 44.38 31.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 65.35 44.69 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -90.37 76.92 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -167.77 157.05 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.2 p -43.59 106.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -94.97 146.77 24.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 58.84 42.22 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.0 m -107.69 93.22 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.3 -173.72 45.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 166.93 25.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.2 p -164.23 -177.15 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m 58.08 44.55 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 p -173.69 168.96 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -167.77 178.53 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.64 141.78 5.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -171.38 146.56 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -174.99 159.09 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -74.36 -172.22 27.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.7 m-20 -162.76 137.6 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -130.68 154.9 47.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' THR . 1.9 mt -138.49 174.08 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 29.8 m-85 -123.24 121.27 27.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.718 0.771 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.81 157.89 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -55.05 -41.93 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -63.27 -27.06 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.78 -18.39 8.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.06 177.59 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 p -144.36 120.32 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 49.9 m-85 -103.78 143.19 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.404 ' HA ' HD23 ' A' ' 10' ' ' LEU . 24.9 m -67.53 -23.15 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -118.54 148.94 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' NH2' ' A' ' 25' ' ' ARG . 29.6 tptt -65.79 -42.91 90.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -56.71 -53.05 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -53.13 -36.03 60.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -77.79 -35.92 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.45 -52.84 59.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -55.3 -30.57 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.18 -19.46 53.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 mmm -85.05 -37.0 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.1 m -70.75 -29.58 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -75.57 -31.6 60.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 14.4 m-70 -54.09 -43.77 70.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.44 70.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.75 -167.8 14.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt 44.95 53.96 7.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -44.7 113.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.75 -19.94 35.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 40.5 m-85 -94.55 110.45 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.72 137.87 10.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.439 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 17.1 t -81.03 104.62 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.08 34.87 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 ' CG ' ' A' ' 60' ' ' HIS . 51.6 t -124.99 -43.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.6 -37.14 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.93 31.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mtpp -96.55 178.81 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.655 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 8.4 mtmp? -158.57 158.57 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 8.3 m-85 -154.79 150.83 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -78.99 -41.63 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.427 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 21.4 mmt -94.11 148.61 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.0 -36.05 82.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.471 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.9 p-80 -74.1 -34.01 63.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 37.0 m170 -60.83 -27.13 67.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 38' ' ' TYR . 28.2 tp -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.0 t -53.1 -61.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 58' ' ' LYS . . . -42.97 -22.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 22.1 t60 -94.89 -45.68 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.13 -25.7 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' CD ' ' HA2' ' A' ' 55' ' ' GLY . 12.2 mtpt -58.58 -14.79 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.0 pt -82.69 -17.88 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.6 m-70 -108.47 -45.65 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 56.7 p -40.03 151.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -119.29 148.46 18.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 22.9 mm -36.66 133.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 100.06 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.513 0.673 . . . . 0.0 110.948 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.588 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 53.7 Cg_endo -69.73 -9.56 26.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 65' ' ' PRO . 16.2 m-85 -115.19 144.36 43.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 73' ' ' LYS . 4.1 tt0 -157.1 138.08 13.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.32 173.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.9 -59.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -92.21 -10.47 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.35 28.25 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -56.49 169.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -125.55 131.87 52.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.97 151.46 49.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.9 ttp -98.56 -30.73 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -91.92 150.56 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD2' ' CE1' ' A' ' 66' ' ' TYR . 3.8 tpt180 -77.31 -52.78 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -50.84 -47.49 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -63.38 -47.71 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.919 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 t80 -48.62 -53.59 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.82 -39.74 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 ttt-85 -55.16 -40.49 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.3 t60 -77.93 -56.18 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 81' ' ' PHE . 42.2 t -49.29 -50.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 83' ' ' ARG . 1.1 t -44.85 -29.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -98.45 -31.3 12.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.07 -11.12 46.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 m -86.52 -50.75 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -47.04 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -59.65 -39.56 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.06 -61.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.14 -42.82 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.75 -39.43 3.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -74.88 -50.85 15.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mttt -34.59 -44.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 46.97 40.07 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.93 -45.56 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.1 77.51 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -159.99 121.45 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 m -120.94 98.99 6.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.4 p -63.44 101.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.61 172.22 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.52 118.94 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.8 m -158.86 158.34 33.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -162.36 159.41 31.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 133.95 26.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -154.77 130.02 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.7 p -136.45 168.78 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.435 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -174.52 -178.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m 63.07 51.87 2.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.11 173.06 23.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -165.24 174.84 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -158.79 178.99 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.88 142.58 3.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.24 127.39 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.377 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.72 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -117.36 174.69 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 9' ' ' LYS . 12.0 mt -152.52 156.74 39.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -125.84 123.26 24.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.58 12.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.75 163.7 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.44 -38.92 81.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -69.37 -29.26 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.27 -25.38 4.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.27 173.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.2 p -138.6 133.96 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 73.1 m-85 -118.29 142.53 47.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.5 m -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -117.26 155.21 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ARG . 16.7 ttpt -67.44 -60.06 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -42.35 -43.54 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 4.1 tmm_? -79.43 -42.48 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.64 -53.98 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 10.1 ptm180 -55.68 -38.26 69.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 9.8 t-80 -67.89 -31.73 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.4 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 19.4 mtp -67.71 -48.76 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -51.68 -43.49 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.2 mtp -46.27 -51.69 14.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 12.2 m-70 -53.49 -40.11 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 mt -92.25 99.31 12.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 150.35 -59.03 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 34' ' ' GLY . 4.5 mm? -115.51 173.02 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 7.4 mpt_? -110.09 153.11 43.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.78 -19.51 35.94 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 47.2 m-85 -99.46 130.48 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.41 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 29.8 t -85.29 103.84 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 38.11 2.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 60' ' ' HIS . 73.9 t -130.01 -47.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.25 -37.33 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.87 32.19 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.59 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -100.73 177.09 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.618 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 55.9 mttt -156.63 157.22 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -145.93 152.84 40.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -79.8 -43.35 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 13.8 mmt -92.09 170.75 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -47.13 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.2 OUTLIER -71.66 -10.51 59.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 26.9 m170 -81.01 -24.47 37.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 47' ' ' PHE . 34.4 tp -86.16 -40.32 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.8 t -52.1 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.49 -22.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 59' ' ' ILE . 26.3 t60 -97.96 -41.39 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.433 ' CE ' ' SG ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -55.66 -27.94 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -10.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -86.18 -19.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 81.9 m-70 -110.11 -41.89 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.1 p -70.32 87.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.85 -113.25 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 64' ' ' LYS . 89.5 mt -90.17 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.37 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 63' ' ' ILE . 3.8 mppt? -109.05 90.23 7.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 110.942 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -45.3 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -139.45 138.45 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -143.39 147.02 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.11 173.04 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.94 -33.39 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.52 -62.78 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.9 p -91.32 -10.25 42.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.92 28.79 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -64.11 156.25 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 26.4 mtm105 -109.69 131.74 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.42 111.36 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 ppp? -62.49 -38.45 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' SD ' ' A' ' 76' ' ' MET . 11.4 m95 -75.48 174.4 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -103.59 -60.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -51.02 -49.24 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 m -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.06 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -60.41 -36.44 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -55.45 -40.43 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.2 t60 -77.67 -65.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 63.3 t -37.51 -44.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.3 m -48.0 -47.83 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' THR . 19.2 m -80.67 -51.43 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.78 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' GLU . 25.9 m -89.82 -49.06 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' THR . 6.9 mtmp? -34.67 -46.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -73.34 -48.47 34.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -50.68 -50.25 55.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 89' ' ' THR . 19.7 mt-10 -46.19 -42.23 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.35 -54.5 44.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -38.52 -41.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 100' ' ' ASN . . . 63.42 40.33 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 97' ' ' ALA . 18.3 mt-10 30.82 47.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 62.24 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.705 ' HB3' ' HB1' ' A' ' 97' ' ' ALA . 63.9 t30 -105.45 -38.57 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.546 HG23 ' HG3' ' A' ' 103' ' ' GLU . 8.0 t -80.14 142.16 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -68.93 108.79 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' HG3' HG23 ' A' ' 101' ' ' THR . 22.8 mt-10 -125.49 168.91 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.05 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.3 t -155.17 132.96 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.41 160.34 13.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.63 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.7 t -120.39 -64.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.9 p -157.38 174.14 15.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.531 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -163.49 173.89 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -160.0 178.23 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.39 178.81 48.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -144.57 177.19 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -125.66 168.69 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.75 -154.71 8.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -151.64 105.56 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' HD23 ' A' ' 10' ' ' LEU . 16.5 mttt -99.56 154.61 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 9' ' ' LYS . 5.5 mt -146.38 167.2 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 4.0 m-85 -133.64 119.14 14.89 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.72 33.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.94 162.7 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -52.38 -43.03 64.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -65.78 -30.41 71.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.54 6.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -61.57 172.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.7 p -134.63 126.48 29.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -109.18 153.36 23.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -71.58 -22.81 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -126.17 162.7 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.33 -40.44 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -59.55 -31.9 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -75.08 -36.43 61.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -75.4 -30.84 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.4 -51.29 45.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -30.62 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.1 t-80 -81.37 -14.1 57.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.0 mtp -84.08 -44.72 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -67.82 -40.61 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 3.2 ppp? -56.74 -31.94 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 19.4 m-70 -57.84 -52.05 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.15 -44.83 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.784 ' C ' HD12 ' A' ' 35' ' ' LEU . . . 85.85 103.94 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 34' ' ' GLY . 7.5 mp -143.81 117.8 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 2.8 mpt_? -147.21 122.92 5.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.7 Cg_endo -69.69 -17.68 37.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.406 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 80.4 m-85 -100.57 116.08 31.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.93 128.73 6.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.45 105.05 9.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.29 37.58 2.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 60' ' ' HIS . 47.7 t -128.88 -44.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.8 p -115.24 -36.97 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.75 30.46 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 28.4 mttp -97.0 179.92 4.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.631 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 24.0 mttp -158.05 156.14 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -146.57 150.4 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -78.59 -41.93 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.497 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 6.0 mmt -95.66 165.17 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.58 -47.48 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -3.02 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -87.47 -23.56 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 47' ' ' PHE . 40.8 tp -88.01 -41.91 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.58 -57.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -45.81 -20.8 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.9 t60 -97.46 -44.18 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.61 -27.05 15.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 55' ' ' GLY . 13.5 ptmm? -57.0 -23.3 45.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 56' ' ' HIS . 4.4 pt -72.67 -30.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 80.9 m-70 -87.95 -61.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 57' ' ' MET . 1.9 t -79.89 147.62 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.71 170.89 24.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.13 160.99 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 111.088 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -130.67 74.59 79.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.93 30.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 9.4 m-85 -129.69 141.22 50.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.4 tm-20 -148.3 125.87 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 4.3 t -53.81 172.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.97 -40.15 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -70.92 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.2 p -84.63 -10.99 56.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.03 26.19 16.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -66.43 157.37 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -114.0 134.5 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -127.27 157.35 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.558 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.4 ptm -98.6 -38.36 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 85.5 m95 -92.93 143.87 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 9.2 tpt180 -70.07 -41.99 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 2.9 p-10 -58.19 -39.32 78.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.83 -45.75 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 85' ' ' VAL . 40.1 t80 -53.46 -59.82 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -64.5 -45.28 87.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 86' ' ' THR . 61.6 ttt-85 -53.93 -38.97 65.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.9 t60 -81.8 -58.96 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 81' ' ' PHE . 46.9 t -46.82 -50.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 83' ' ' ARG . 2.5 t -43.49 -26.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -101.8 -40.77 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.9 -21.76 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 93' ' ' GLU . 28.4 m -86.63 -51.08 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' THR . 19.8 mtpp -34.53 -56.5 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 m -62.04 -43.22 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 6.1 t80 -56.68 -55.32 35.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.562 ' HG3' HG22 ' A' ' 89' ' ' THR . 22.4 mt-10 -53.44 -45.57 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.18 -50.8 8.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.8 29.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 96' ' ' LYS . 4.0 tmmm? -45.87 150.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.35 42.32 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -78.52 -44.89 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -82.99 -25.92 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.86 -42.52 68.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.2 p -80.09 142.51 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.0 p -42.87 124.93 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.95 136.32 37.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 172.88 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -67.99 90.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.47 113.03 3.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.08 63.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 81.4 p -57.44 172.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 m -158.3 173.86 16.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.482 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.72 148.0 64.35 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.734 2.289 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -114.18 162.71 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -52.43 -44.67 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.3 p -62.95 -31.83 73.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 -23.94 4.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.4 167.69 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 p -133.99 128.2 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.41 162.78 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 m -75.79 -32.36 59.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -116.6 163.4 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.598 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -77.05 -38.19 53.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -63.37 -34.05 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.82 -32.21 65.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.1 tmm_? -81.82 -31.91 31.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -66.11 -52.78 45.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -50.97 -31.53 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.27 -22.16 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 mtp -80.51 -45.65 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 p -63.38 -36.16 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -66.59 -36.0 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.9 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.25 33.22 2.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -123.23 -43.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -115.99 -38.15 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.2 31.23 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mttm -98.87 176.56 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 17.5 mtpt -155.37 155.94 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.3 m-85 -147.81 144.77 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -68.52 -45.37 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.86 165.1 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -78.65 -36.35 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -71.81 -27.92 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 17.6 m170 -69.29 -25.13 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 47' ' ' PHE . 25.4 tp -83.89 -39.98 19.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.13 -50.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.55 -12.44 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.805 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.7 t60 -107.76 -38.61 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.88 -25.71 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -8.58 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.9 pt -88.28 -18.99 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.411 ' CG ' HG11 ' A' ' 42' ' ' VAL . 83.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.489 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 4.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -137.15 143.62 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 85' ' ' VAL . 2.7 t -64.97 176.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.05 -36.4 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.9 mp -80.26 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.34 -7.51 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.04 29.92 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -66.72 157.34 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -110.2 136.42 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -140.01 131.4 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.0 ptm -80.21 -38.68 30.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 46.5 m95 -80.19 153.87 28.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -85.11 -57.92 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 5.3 m-20 -46.53 -48.1 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -68.96 -39.78 79.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 t80 -55.92 -58.71 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -68.9 -42.2 77.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 27.6 ttm-85 -52.91 -38.47 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -78.91 -58.66 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 81' ' ' PHE . 87.6 t -47.04 -41.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -48.96 -46.91 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -81.64 -47.35 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.16 -31.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . 86.6 m -86.3 -44.79 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' THR . 4.8 mmmm -34.52 -51.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 m -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.5 t80 -52.02 -41.98 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.676 0.75 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.24 9.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.74 158.56 15.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -56.22 -41.88 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.56 -28.84 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.09 -27.0 5.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -64.16 167.84 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.3 m -135.33 124.54 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -105.19 148.96 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.4 m -74.36 -26.18 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -111.44 133.64 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.86 -36.31 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -62.06 -39.56 92.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.13 -31.03 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -76.76 -42.84 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -60.58 -53.15 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.514 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 5.4 ptm180 -54.67 -32.28 59.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 2.2 t-80 -79.14 -26.32 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -81.63 -39.11 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -69.78 -35.79 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -67.29 -31.38 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.38 38.71 2.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 ' CG ' ' A' ' 60' ' ' HIS . 50.9 t -129.54 -45.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 17.1 p -114.35 -36.42 4.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 30.76 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 26.4 mttt -96.19 -179.28 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 31.7 mtmm -157.16 158.03 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 10.3 m-85 -151.78 151.1 30.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -76.12 -44.61 37.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.533 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 8.6 mmt -99.41 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -67.7 -32.27 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -74.21 -33.88 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.52 -25.57 68.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -81.6 -42.8 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' HIS . 43.1 t -53.59 -61.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.59 -27.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.7 t60 -94.31 -40.54 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.54 -27.95 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -56.16 -19.16 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -76.34 -19.35 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 84.2 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 26.9 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.811 0.339 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -148.25 147.91 29.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.48 174.02 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -109.69 -39.63 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.66 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.1 mp -73.51 -63.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.4 p -89.27 -13.06 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.44 29.34 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -65.68 157.86 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -113.29 132.95 55.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -129.1 126.88 40.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.37 -42.74 82.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -94.54 134.87 36.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttm180 -60.79 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ARG . 30.1 t0 -37.77 -44.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -38.36 73.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.0 t80 -57.32 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -57.13 -43.21 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -55.38 -47.68 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.8 t60 -69.85 -64.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 81' ' ' PHE . 46.6 t -39.32 -51.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -44.22 -41.1 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 m -85.2 -41.85 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.5 t -57.29 -23.72 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' LYS . 59.7 m -81.8 -50.57 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 32.8 mtpt -34.69 -46.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -66.22 -50.02 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.8 t80 -56.18 -43.77 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.692 0.758 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -94.6 161.72 14.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -60.33 -39.02 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 26.8 p -67.36 -31.0 70.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.78 -30.74 3.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.22 160.86 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -133.36 130.81 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 6.5 m-85 -106.33 171.67 7.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.3 m -84.15 -34.34 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -109.85 167.2 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.7 ttpp -79.58 -38.63 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.9 m -62.57 -48.53 79.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.84 -38.42 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.2 tmm_? -76.46 -38.68 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -59.41 -54.62 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 25.9 ptt85 -52.43 -32.13 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.403 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 19.6 t-80 -77.1 -36.81 55.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.444 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 18.7 mtp -64.74 -47.87 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 p -49.11 -37.65 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.0 mtm -52.86 -40.73 63.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 10.1 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.0 33.94 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.52 -44.28 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.6 p -114.81 -39.15 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.31 31.03 1.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 31.8 mttt -98.74 176.46 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.607 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.5 mttt -153.84 156.2 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.6 m-85 -145.28 148.56 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG3' ' HG2' ' A' ' 49' ' ' MET . 0.5 OUTLIER -70.39 -44.95 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.537 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 15.9 mmt -100.56 167.55 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.85 -49.79 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.7 OUTLIER -62.4 -35.1 78.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 64.7 m170 -57.75 -30.14 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD12 ' CE1' ' A' ' 47' ' ' PHE . 14.2 tp -83.98 -37.22 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 t -52.8 -60.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.67 -26.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -92.43 -40.81 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -56.55 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -58.64 -16.01 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -84.3 -15.18 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.532 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 31.1 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -144.42 135.14 24.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.35 173.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 1.5 p-10 -111.28 -30.74 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -82.85 -65.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.97 -10.97 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.4 28.73 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 84' ' ' HIS . 16.9 mtmt -72.13 156.71 38.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -113.01 139.79 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -134.05 119.21 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.0 ttp -59.94 -43.25 95.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -81.69 153.16 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -78.47 -53.77 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -36.0 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.9 p -66.66 -28.58 68.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.2 t80 -70.77 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -60.24 -44.27 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -50.85 -44.59 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.544 ' CE1' ' HE3' ' A' ' 73' ' ' LYS . 2.0 t60 -80.17 -57.91 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 81' ' ' PHE . 61.5 t -44.05 -50.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -42.17 -42.27 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -83.47 -54.06 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.1 t -38.59 -35.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.0 m -82.12 -45.68 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' THR . 2.9 mmmm -33.97 -55.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -68.29 -41.3 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.3 t80 -53.99 -51.54 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.79 125.85 12.6 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 t -96.61 158.99 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -53.99 -47.03 71.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 p -59.39 -27.53 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.18 -26.32 5.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -60.57 174.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 m -142.52 129.49 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -112.4 142.69 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -65.02 -26.51 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -112.72 149.37 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 16.2 tptm -69.33 -38.87 78.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -61.72 -41.72 98.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -62.79 -32.08 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -80.9 -31.94 34.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.51 -55.02 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.51 -32.04 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -74.03 -33.71 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.95 -48.62 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 p -51.59 -43.66 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.3 mtm -48.06 -52.78 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 25.7 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.16 29.42 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.85 -42.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.97 -36.73 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.2 31.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 22.0 mttp -97.89 178.67 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 62.8 mttm -158.55 152.62 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.2 m-85 -145.59 148.21 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -72.14 -44.03 63.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 16.6 mtt -95.44 160.51 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 16.8 pttm -70.53 -49.29 49.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 8.9 p-80 -63.24 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.459 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 11.0 m170 -58.75 -25.22 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 29.6 tp -88.17 -38.73 15.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.31 -59.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.35 -19.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.8 t60 -100.6 -36.79 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.35 -27.49 64.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -56.18 -26.33 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' HIS . 2.4 pt -70.82 -16.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.551 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 44.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 9.0 tt0 -172.0 141.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.5 t -73.54 172.56 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 -41.5 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.56 -65.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -85.96 -8.3 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.29 26.39 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -64.23 167.65 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -125.82 139.9 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -139.78 136.91 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ttp -82.28 -43.58 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -82.94 149.35 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -77.98 -56.16 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -42.17 -56.17 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -61.31 -37.35 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 44.8 t80 -61.84 -71.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -49.01 -38.85 24.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.61 -39.85 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -74.25 -60.6 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.8 t -42.55 -53.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.8 m -52.49 -47.78 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 t -86.27 30.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 t -126.15 -27.36 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 89' ' ' THR . 44.6 m -89.11 -12.7 40.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -58.11 -53.92 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -72.66 -49.71 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 1.9 t80 -41.19 -49.47 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.0 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.706 0.765 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.8 122.54 9.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.3 t -92.43 158.71 15.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -55.66 -45.67 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 29.5 p -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.62 -24.84 4.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.37 161.39 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.5 m -134.39 127.83 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 22.8 m-85 -108.55 159.75 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.9 m -82.91 -22.81 33.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.16 142.43 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.8 tppt? -59.52 -36.94 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -64.29 -53.93 41.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.86 -31.53 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 4.2 tmm_? -79.03 -36.44 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.534 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -64.34 -54.65 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 10.7 ptm180 -51.12 -31.2 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -81.89 -19.66 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mmm -86.96 -35.39 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.8 p -70.61 -29.97 66.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 6.4 ptt? -71.78 -31.87 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.3 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.62 29.87 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG11 ' CG ' ' A' ' 60' ' ' HIS . 43.0 t -120.68 -43.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.49 -38.52 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.57 30.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 6.5 mtpt -95.99 -176.21 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.606 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 54.1 mttm -160.6 161.07 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 9.7 m-85 -152.14 151.07 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -70.51 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.7 mmt -104.72 164.93 11.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -69.69 -49.07 57.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -55.31 -38.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -60.62 -31.76 70.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 tp -78.12 -41.58 34.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.9 t -53.19 -61.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.81 -23.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.858 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.0 t60 -95.03 -43.35 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.76 -26.89 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.32 -14.77 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.6 pt -81.09 -17.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.1 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -162.49 142.52 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.95 174.1 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -108.88 -37.57 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -77.84 -66.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.45 -14.31 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.06 26.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -63.94 155.17 31.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -109.43 136.18 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 81' ' ' PHE . 4.8 m-85 -118.68 -174.95 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -117.48 -32.66 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -127.53 144.75 51.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.66 -55.94 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 27.3 t0 -44.39 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -40.83 80.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.1 t80 -61.9 -61.36 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -61.3 -39.13 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 24.1 ttm180 -53.16 -33.67 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.61 -50.14 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.94 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.5 t -51.49 -40.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -50.61 -27.51 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.2 t -102.3 -43.31 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.5 t -53.59 -19.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 14.0 m -90.87 -45.47 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 7.2 mtpm? -35.75 -57.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -57.42 -46.85 83.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -56.37 -39.27 72.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -91.06 163.65 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.4 p -63.84 -26.39 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.88 -20.98 7.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -62.34 168.95 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -135.13 126.58 28.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.43 148.49 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -74.13 -26.62 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -109.98 146.55 35.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -66.26 -43.3 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -57.88 -46.92 84.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -55.53 -39.84 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.7 tmm_? -73.04 -40.8 64.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.24 -52.93 63.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -56.49 -30.45 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -83.52 -13.43 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -87.94 -43.47 11.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 t -67.34 -36.18 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -36.95 80.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 28.4 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 24.66 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.5 t -112.57 -43.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.93 0.395 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 p -116.16 -36.82 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.47 31.41 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.8 mttp -97.0 -179.67 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.5 mttm -158.04 155.79 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 3.8 m-85 -149.98 158.11 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -85.39 -43.32 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 24.0 mmt -96.33 156.27 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -71.39 -30.77 66.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 4.3 p-80 -78.4 -30.82 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 47' ' ' PHE . 31.2 tp -82.88 -40.07 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' HIS . 23.6 t -54.52 -61.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.56 -22.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.2 t60 -95.97 -44.96 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.7 -26.4 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.87 -12.55 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.0 pt -84.04 -16.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.2 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.64 126.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 85' ' ' VAL . 1.6 t -53.36 171.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -113.01 -34.94 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.42 -64.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.9 p -84.86 -10.81 56.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.45 31.37 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -76.65 161.07 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 85.3 mtt180 -115.62 151.19 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 74' ' ' ARG . 63.3 m-85 -148.32 153.08 38.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 12.1 ptm -96.08 -22.55 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 79.6 m95 -95.02 156.36 16.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -89.68 -53.02 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -53.18 -52.53 58.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -60.11 -35.48 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.0 t80 -59.85 -65.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -55.74 -47.5 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.8 -40.93 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.1 t60 -66.8 -52.03 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 81' ' ' PHE . 35.5 t -56.37 -34.09 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -51.23 -41.69 60.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 m -76.67 -31.55 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.9 m -87.34 -53.72 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' THR . 16.6 mtpp -34.4 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -84.59 -50.15 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -48.94 -41.41 33.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.1 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.26 39.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.8 t -106.8 163.82 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -56.43 -42.21 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.38 -27.5 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.01 174.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -137.86 133.04 33.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 31.7 m-85 -116.02 144.18 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -61.76 -28.93 69.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -116.11 163.47 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -81.15 -38.35 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -65.75 -37.07 85.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 1.1 tmm_? -71.02 -37.56 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -67.47 -53.67 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.23 -31.68 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -78.38 -29.94 47.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.9 mtp -63.56 -44.23 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -57.17 -41.39 79.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.9 mtp -46.2 -48.46 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 17.7 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 33.28 2.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.496 HG11 ' CG ' ' A' ' 60' ' ' HIS . 58.8 t -123.92 -46.58 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.23 -36.56 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.34 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 40.2 mttt -96.77 -178.59 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 38.4 mtmt -159.35 153.95 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.2 m-85 -147.93 141.2 25.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -66.49 -43.82 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.1 mmt -95.71 158.07 15.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 18.6 pttp -71.4 -46.35 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.3 p-80 -63.06 -32.22 73.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -61.04 -26.79 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 37.1 tp -82.38 -41.95 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.88 -50.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.32 -12.59 3.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 59' ' ' ILE . 11.7 t60 -108.44 -38.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -57.44 -27.2 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -60.67 -9.48 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.859 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.5 pt -86.38 -17.53 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 9.8 m-85 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 68' ' ' CYS . 28.0 tt0 -152.88 133.8 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 6.0 t -58.86 169.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.467 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -107.91 -32.6 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.3 mp -77.94 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.0 p -82.79 -20.52 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 71' ' ' CYS . . . 73.25 25.83 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -63.32 167.67 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -126.74 135.88 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -126.3 165.68 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.6 ttp -115.39 17.19 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -151.16 133.87 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 18.7 tpt180 -58.57 -46.45 86.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -53.2 -53.72 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -59.68 -42.39 92.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.954 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.4 t80 -50.81 -60.04 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -65.85 -44.35 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -51.6 -32.66 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -90.37 -56.84 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 81' ' ' PHE . 24.6 t -48.41 -48.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -46.39 -30.29 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -95.37 -45.53 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.68 -17.59 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.2 m -91.11 -49.82 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 14.8 mtpt -36.03 -61.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.4 m -55.96 -50.36 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.1 t80 -49.89 -59.06 4.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.7 0.762 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.7 136.59 33.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.2 t -93.4 163.77 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -52.42 -46.73 66.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.0 p -59.41 -30.26 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.66 -23.62 4.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 27.7 mtpp -52.76 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.8 m -157.91 122.92 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 7.3 m-85 -113.59 146.67 39.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -63.11 -32.45 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -108.84 161.7 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -80.41 -36.35 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -62.99 -41.64 99.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.18 -35.5 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 5.7 tmm_? -76.04 -30.71 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -56.14 -25.94 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -93.54 -7.69 43.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 mtp -85.87 -55.03 4.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 m -56.73 -44.31 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.3 ptm -41.72 -33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 26.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.53 2.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.9 t -128.81 -45.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.2 -37.04 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 31.96 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 17.6 mttp -98.21 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 71.9 mttt -158.02 155.29 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 6.6 m-85 -149.55 146.38 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -73.95 -39.29 63.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 14.1 mmt -98.47 146.79 25.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -64.98 -31.64 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -77.22 -33.91 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -62.15 -25.82 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.9 tp -82.99 -37.77 23.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' HIS . 22.8 t -56.21 -62.68 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.84 -25.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 20.9 t60 -93.62 -44.05 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.65 -27.44 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -58.16 -12.54 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.8 pt -83.54 -18.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.443 ' NE2' HD11 ' A' ' 59' ' ' ILE . 79.9 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 6.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -161.0 142.14 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 t -64.75 175.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.855 ' OD1' HD12 ' A' ' 70' ' ' ILE . 7.6 p-10 -112.09 -32.43 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.855 HD12 ' OD1' ' A' ' 69' ' ' ASN . 5.4 mp -83.09 -63.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.74 -0.83 57.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 50.21 29.74 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -67.52 162.31 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -116.78 137.18 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -132.08 155.98 47.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.7 ttp -100.33 -45.44 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -85.29 135.81 33.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 66' ' ' TYR . 13.5 tpt180 -64.12 -49.13 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.69 -40.49 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -71.89 -44.98 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.5 t80 -50.73 -57.49 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HE ' ' A' ' 78' ' ' ARG . 5.5 m170 -67.49 -41.0 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -51.66 -49.62 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -72.27 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 81' ' ' PHE . 58.0 t -42.91 -42.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -48.02 -46.95 33.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.9 t -81.81 -49.87 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.9 t -42.23 -30.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.567 HG22 ' HG3' ' A' ' 93' ' ' GLU . 7.5 m -81.29 -46.3 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 20.7 mmmt -34.4 -57.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.1 m -57.06 -52.22 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.51 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.567 ' HG3' HG22 ' A' ' 89' ' ' THR . 45.3 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.651 0.739 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.29 25.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.606 2.204 . . . . 0.0 112.362 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -111.68 152.48 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -47.07 -47.65 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -55.28 -29.73 58.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.32 10.85 14.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -91.37 179.78 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -142.92 115.2 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.98 173.67 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -93.44 -27.04 16.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -114.36 158.54 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -72.32 -52.93 13.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 t -51.58 -45.51 63.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.29 -46.06 76.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -70.02 -39.72 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -61.64 -52.65 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 7.3 ptp180 -57.57 -34.93 69.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 4.0 t-80 -67.76 -39.05 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -62.8 -46.72 86.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 m -55.47 -43.38 75.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 28.3 mtm -49.23 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' MET . 12.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.45 31.95 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.1 t -121.72 -41.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.5 p -120.59 -40.99 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.83 30.6 1.22 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -97.06 177.86 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mtmp? -147.58 163.42 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' ' 53' ' ' LEU . 10.4 m-85 -159.67 116.8 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -53.3 -34.11 56.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.8 mmt -102.55 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -89.06 -27.28 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.452 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 12.3 p-80 -82.42 -29.38 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 8.3 m170 -65.8 -25.73 67.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 47' ' ' PHE . 21.6 tp -82.88 -41.18 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.91 -58.33 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.75 -21.85 0.64 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 59' ' ' ILE . 8.2 t60 -96.69 -44.13 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -50.26 -31.73 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -51.55 -30.15 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -66.16 -35.88 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 71.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 8.6 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -160.78 129.76 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.78 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.82 -40.06 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -72.66 -59.95 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.69 -7.64 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.5 25.97 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -57.67 163.15 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.59 123.29 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.29 171.77 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 ttp -111.43 -48.86 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -81.05 137.14 36.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttp180 -62.75 -56.12 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -44.49 -58.01 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.9 m -59.28 -40.68 86.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 85' ' ' VAL . 4.7 t80 -57.66 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -57.03 -42.43 80.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -52.52 -53.54 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.8 t60 -65.6 -54.37 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 81' ' ' PHE . 61.4 t -47.44 -44.58 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.8 m -50.86 -59.5 4.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -65.36 -35.21 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.8 t -54.47 -21.09 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.509 HG22 ' HG3' ' A' ' 93' ' ' GLU . 6.5 m -89.02 -49.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.6 OUTLIER -35.52 -33.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' THR . 3.1 m -85.9 -53.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.8 t80 -48.88 -45.22 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.509 ' HG3' HG22 ' A' ' 89' ' ' THR . 25.2 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 16.7 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.651 0.739 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.39 35.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.54 152.62 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.07 -49.82 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 p -52.33 -31.5 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.94 8.31 13.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.81 174.4 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -137.08 113.2 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -94.17 175.26 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -95.29 -28.67 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -114.01 138.64 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 ttpp -54.43 -43.26 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 p -56.19 -60.66 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -45.24 -39.67 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.3 tmm_? -73.15 -35.73 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -68.64 -54.5 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -57.52 -32.59 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 9.8 t-80 -71.53 -33.85 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.448 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 20.9 mtp -65.72 -48.29 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.2 m -54.54 -41.04 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.8 mtm -49.81 -47.39 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 17.8 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.2 30.41 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 60' ' ' HIS . 55.9 t -120.3 -44.55 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.1 p -114.67 -36.03 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.72 31.13 2.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 39.6 mttt -96.26 179.38 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.2 mttp -158.73 152.83 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.3 m-85 -146.47 145.68 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -73.85 -42.45 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.466 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 20.9 mmt -93.29 159.67 15.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -74.88 -47.34 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.491 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 1.4 p80 -69.57 -10.79 59.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 7.9 m170 -80.9 -23.54 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 tp -86.41 -42.03 13.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 t -52.27 -58.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.2 -23.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.863 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -96.74 -43.65 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.5 -27.24 10.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -58.79 -11.01 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.863 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -86.35 -16.97 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CG ' HG11 ' A' ' 42' ' ' VAL . 91.1 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.439 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 32.8 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.339 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 7.0 tt0 -165.32 143.21 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.8 t -72.56 166.29 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -107.38 -25.96 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -82.14 -65.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -87.19 -12.79 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.58 33.09 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -71.41 165.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -119.7 139.58 52.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 6.3 m-85 -131.26 152.5 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 ttp -108.96 15.48 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -149.12 145.62 27.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -70.12 -56.78 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.01 -49.73 30.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.5 m -65.05 -44.57 88.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.9 t80 -51.81 -58.14 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -65.41 -42.05 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -49.28 -39.77 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 4.8 t60 -85.35 -61.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 54.3 t -38.92 -49.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -45.88 -56.07 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -68.69 -44.73 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.95 -32.23 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TYR . 3.1 m -78.74 -50.62 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 29.2 mtpt -35.83 -46.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -68.93 -43.14 75.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.7 t80 -58.14 -47.68 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 8.1 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.672 0.748 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.11 46.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.27 163.36 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.4 -46.98 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -58.24 -32.76 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.98 -20.23 5.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -60.18 -175.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -154.84 127.09 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.78 161.83 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 m -72.39 -32.26 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -116.12 164.04 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.57 -36.04 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 p -64.85 -34.12 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -74.53 -29.59 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.9 tmm_? -83.72 -31.43 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -64.66 -52.68 56.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -49.15 -29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.96 -24.42 33.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mtp -81.87 -37.43 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -69.92 -33.89 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 2.2 ptt? -69.6 -31.53 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 31' ' ' MET . 15.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.56 37.5 2.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -129.3 -45.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.1 p -112.71 -39.06 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 50.6 mttt -100.63 179.44 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 9.7 mtmp? -158.1 154.92 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 2.9 m-85 -143.88 140.76 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -66.91 -43.43 83.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mtt -97.3 155.48 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -60.98 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.4 OUTLIER -56.69 -14.99 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 14.4 m170 -77.18 -24.07 51.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 47' ' ' PHE . 33.6 tp -86.36 -39.75 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' HIS . 15.2 t -52.99 -61.28 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.875 ' O ' HG23 ' A' ' 59' ' ' ILE . 18.2 t60 -93.7 -43.24 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.55 -27.22 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -57.97 -14.58 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.875 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.7 pt -80.73 -17.93 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.8 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 1.8 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.1 t -61.29 168.95 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 2.1 p-10 -109.38 -24.74 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.4 -66.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -83.52 -13.39 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.56 34.41 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -77.16 164.36 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -113.24 128.71 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -134.27 105.97 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.553 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.9 ppp? -61.83 -32.82 73.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.553 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 32.9 m95 -82.38 127.42 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 23.3 ttm-85 -64.24 -44.91 90.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -56.56 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -62.04 -44.58 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.917 ' O ' HG23 ' A' ' 85' ' ' VAL . 16.2 t80 -50.86 -58.13 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.422 ' CE1' ' NH1' ' A' ' 78' ' ' ARG . 66.7 m80 -68.59 -41.38 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -57.96 -30.98 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.9 t60 -89.98 -54.4 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 81' ' ' PHE . 48.9 t -49.91 -44.87 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 t -49.75 -26.84 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -98.84 -47.42 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.96 -23.78 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . 19.5 m -87.47 -51.15 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' THR . 37.1 mttp -34.27 -49.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 m -68.86 -49.89 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -49.72 -55.2 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.4 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.644 0.735 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.218 . . . . 0.0 112.397 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 t -97.72 163.11 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -58.88 -38.15 78.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.5 p -69.22 -28.0 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.25 -24.38 5.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -61.42 176.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -141.64 133.51 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -117.42 136.96 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 98.4 m -55.86 -29.28 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -115.59 156.73 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.5 tttp -69.04 -59.77 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -43.09 -42.53 4.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.51 -35.83 74.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 26' ' ' ASP . 3.5 tmm_? -74.44 -41.94 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 9.1 t0 -61.09 -56.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -49.17 -34.47 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -72.56 -34.03 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.434 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 32.0 mtp -67.53 -41.83 83.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -56.75 -35.69 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtm -62.56 -39.19 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.0 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.54 34.02 2.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' A' ' 60' ' ' HIS . 48.3 t -123.91 -44.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 p -114.88 -40.1 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.05 31.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -98.28 -177.95 3.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.3 mtmm -156.91 159.4 38.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 13.4 m-85 -151.07 149.08 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -44.12 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.584 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 4.9 mmt -103.46 156.17 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -62.67 -46.25 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -60.97 -40.21 92.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 29.2 m170 -55.37 -30.02 59.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 47' ' ' PHE . 23.3 tp -82.91 -39.15 21.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.1 t -55.16 -62.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.15 -24.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.4 t60 -95.15 -43.47 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.68 -27.46 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -58.29 -11.35 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -85.61 -17.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.484 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -166.74 141.66 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.0 171.5 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -109.2 -29.61 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.81 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.8 p -85.7 -5.24 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.71 29.74 14.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -67.17 163.71 19.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -114.63 136.4 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -126.94 142.76 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 ttt -87.71 -37.38 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -102.04 147.46 26.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.89 -50.23 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -50.51 -48.53 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -67.74 -34.92 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 85' ' ' VAL . 6.3 t80 -57.72 -66.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -57.95 -44.0 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -46.36 -44.35 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -80.52 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' CE1' ' A' ' 81' ' ' PHE . 43.5 t -42.8 -42.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.26 -42.52 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.1 m -80.84 -47.91 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.08 -18.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 90.6 m -89.06 -51.96 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' THR . 41.0 mttt -33.98 -57.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -55.21 -47.84 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.4 t80 -58.47 -44.08 89.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 141.87 46.37 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.86 161.57 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -48.9 -44.45 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 20.2 p -65.04 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.52 -19.67 6.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -59.4 172.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -136.01 127.26 28.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 19.4 m-85 -113.36 144.01 43.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -63.37 -23.53 67.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.05 163.56 20.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.79 -41.9 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -60.62 -32.95 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.54 -34.29 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 5.5 tmm_? -74.32 -39.59 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.1 -54.09 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -49.45 -30.91 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -79.54 -26.57 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.442 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 27.3 mtp -68.0 -48.24 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -49.3 -45.28 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.8 mtm -46.58 -46.1 19.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 20.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 32.65 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.5 t -122.37 -49.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 p -110.79 -36.93 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.36 31.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 1.5 mtpm? -95.71 -177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 73.7 mttt -161.16 149.74 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 6.9 m-85 -141.83 151.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -78.28 -43.24 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.586 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 6.5 mmt -96.5 155.52 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -70.01 -43.27 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 1.1 p80 -74.01 -7.23 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 6.8 m170 -86.04 -20.45 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 47' ' ' PHE . 22.2 tp -90.24 -37.05 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.64 -60.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.9 -24.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.3 t60 -93.16 -43.88 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.49 -27.47 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -58.59 -10.89 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.2 pt -85.49 -17.71 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' HG11 ' A' ' 42' ' ' VAL . 80.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 32.1 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.931 0.396 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -153.38 135.25 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 171.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.73 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.99 -67.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.23 -10.97 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 27.31 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -66.28 165.27 14.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 12.6 mtp-105 -115.93 140.65 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -134.9 119.97 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -64.29 -40.61 96.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.89 158.55 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 37.2 ttp85 -84.9 -52.65 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -44.98 -37.78 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -78.07 -33.08 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CE1' HG21 ' A' ' 85' ' ' VAL . 30.2 t80 -59.03 -63.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -59.88 -40.62 89.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -53.02 -38.57 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 8.6 t60 -84.94 -66.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.6 t -34.68 -48.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -47.59 -46.23 28.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' HIS . 41.1 m -78.95 -37.14 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.8 t -61.15 -30.47 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.9 m -81.8 -48.37 11.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 8.1 mtpm? -36.03 -49.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -64.77 -53.69 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -50.22 -52.33 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.596 0.712 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.73 121.29 7.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -93.83 159.69 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -54.98 -47.29 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.7 p -58.26 -27.95 64.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.55 -23.19 6.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -62.82 173.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 m -142.54 125.07 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -108.72 145.93 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 m -70.81 -27.57 63.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -109.61 153.03 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -72.52 -40.9 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.3 m -58.42 -42.77 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -63.72 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.8 tmm_? -74.46 -38.87 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.52 -51.9 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -55.58 -30.53 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -85.23 -13.57 49.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.5 mtp -88.23 -41.8 12.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -69.91 -33.96 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 1.6 ppp? -63.88 -35.49 80.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 18.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.12 35.81 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 60' ' ' HIS . 52.9 t -126.18 -45.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.49 -36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.63 32.17 1.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.4 mttp -98.14 179.53 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 74.0 mttt -160.24 151.86 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 4.9 m-85 -146.67 147.34 30.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -76.0 -38.53 57.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 46.4 mtt -94.15 150.34 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.29 -28.3 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.466 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.2 p-80 -81.77 -21.26 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.57 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 8.3 m170 -73.27 -33.59 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.68 -40.85 65.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' HIS . 11.6 t -54.89 -61.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.57 -24.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' ILE . 22.1 t60 -94.57 -43.23 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.97 -26.94 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -56.65 -19.59 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -78.69 -16.62 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.0 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -171.8 139.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.45 169.01 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -108.17 -27.57 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -82.32 -67.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 p -85.6 -7.68 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.68 25.8 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -66.26 157.06 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -115.19 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -123.11 149.15 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.437 ' CG ' ' CD1' ' A' ' 77' ' ' TRP . 22.4 ptm -91.47 -43.27 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.437 ' CD1' ' CG ' ' A' ' 76' ' ' MET . 82.6 m95 -81.9 162.28 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -90.64 -47.7 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.31 -48.07 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -64.02 -40.04 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t80 -55.42 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -57.92 -37.37 73.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -56.96 -46.83 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.13 -58.82 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 81' ' ' PHE . 43.3 t -44.74 -44.04 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -49.29 -43.35 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -50.01 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.0 t -44.49 -32.19 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.4 m -79.31 -46.29 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' THR . 5.0 mmmm -33.76 -50.97 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 t -68.64 -43.32 76.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 89' ' ' THR . 5.1 t80 -56.85 -53.53 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 89' ' ' THR . 20.4 mt-10 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.712 0.768 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.74 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 t -86.4 159.77 19.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -56.75 -41.03 76.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -66.28 -30.82 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.99 -26.04 4.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.21 176.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -148.35 116.31 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.3 172.2 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -90.89 -26.13 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -120.21 155.65 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -67.96 -37.89 82.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -63.49 -43.64 96.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.7 -34.08 75.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.3 tmm_? -81.63 -33.6 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.01 -54.43 45.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.75 -32.7 31.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.401 ' HA ' ' SD ' ' A' ' 31' ' ' MET . 3.1 t-80 -82.0 -19.77 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 mtp -86.13 -31.36 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -71.27 -34.23 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 28' ' ' HIS . 3.5 ptm -67.27 -31.7 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.95 25.54 3.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.414 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.3 t -115.15 -42.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.0 p -117.73 -37.93 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.23 24.61 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 43.6 mttt -89.98 179.55 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.642 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 29.2 mttp -153.29 161.39 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.9 m-85 -157.9 144.3 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -76.11 -38.91 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.496 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 21.9 mmt -103.21 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 17.0 ptpt -77.38 -51.43 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 8.5 p-80 -55.32 -39.21 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -55.79 -38.89 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' CD1' ' A' ' 47' ' ' PHE . 42.1 tp -74.11 -46.93 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.4 -55.79 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -48.41 -20.73 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -97.48 -46.49 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.72 -34.65 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -48.35 -28.84 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -66.19 -34.61 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' ILE . 66.7 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.457 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 21.2 m-85 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -165.72 137.91 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.33 176.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.65 -40.32 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -70.26 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -88.77 -8.24 54.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.47 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -68.01 165.52 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -124.33 133.34 53.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.54 127.91 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.604 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 17.2 ptm -74.56 -31.84 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 72.8 m95 -87.8 148.91 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -79.49 -71.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' ARG . 22.1 t0 -35.36 -50.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -63.35 -40.61 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 85' ' ' VAL . 10.0 t80 -58.38 -65.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -56.09 -47.24 78.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -49.87 -44.01 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.81 -59.75 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 81' ' ' PHE . 45.7 t -41.3 -44.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.7 m -51.78 -54.36 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -68.47 -48.85 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.72 -40.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' LYS . 10.8 m -75.29 -49.29 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' THR . 48.3 mttm -36.47 -44.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -72.27 -44.92 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -55.38 -53.63 53.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 3.1 m-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.649 0.738 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.71 138.6 38.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 t -97.43 160.01 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.42 -42.51 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HE3' ' A' ' 17' ' ' LYS . 11.7 p -59.88 -34.99 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.91 -19.32 4.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HE3' ' SG ' ' A' ' 15' ' ' CYS . 21.2 mtmt -63.88 -175.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.9 p -151.79 126.86 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.1 m-85 -115.73 157.41 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -83.62 -19.42 35.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -122.56 133.57 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -32.22 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -62.46 -25.91 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.38 -34.23 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.2 tmm_? -75.83 -33.41 60.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.57 -51.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -54.07 -34.05 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -75.96 -26.13 56.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.1 mtp -70.51 -52.96 18.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.5 p -46.04 -42.28 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.7 mtm -48.99 -47.42 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.05 35.84 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.0 t -126.09 -43.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.25 -37.78 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.03 1.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -97.69 -179.96 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.9 mttt -155.93 160.71 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.4 m-85 -152.23 155.22 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -73.84 -45.33 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.428 ' CB ' ' NE2' ' A' ' 51' ' ' HIS . 6.6 mmt -109.29 173.29 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -81.06 -28.97 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.459 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.6 p-80 -74.23 -25.71 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -75.63 -30.6 59.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.579 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 19.7 tp -83.16 -34.71 25.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.84 -60.55 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.71 -22.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.0 t60 -95.84 -39.5 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.09 -27.63 46.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -55.84 -26.18 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.2 pt -71.07 -17.86 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.425 ' CG ' HG11 ' A' ' 42' ' ' VAL . 81.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.886 0.374 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.35 149.06 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.33 173.78 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -109.1 -34.9 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.7 mp -78.39 -63.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.4 p -89.21 -14.13 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.0 27.36 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -63.22 161.23 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -112.48 134.15 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -133.65 137.27 45.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 28.4 ptm -81.27 -43.37 19.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 40.2 m95 -77.33 169.36 18.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -99.19 -48.29 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.11 -49.21 74.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 m -61.37 -41.46 97.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.801 ' O ' HG23 ' A' ' 85' ' ' VAL . 12.2 t80 -56.06 -61.89 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.01 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -52.01 -52.84 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.3 t60 -63.99 -58.83 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 81' ' ' PHE . 53.9 t -45.43 -38.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.3 m -58.68 -54.69 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -73.37 -21.76 60.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.27 -13.24 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -89.02 -45.67 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.71 -43.07 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -68.17 -39.31 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.89 -48.78 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 22' ' ' LYS . 8.2 m-85 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 121.713 0.768 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.5 Cg_endo -69.78 123.12 9.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.97 154.47 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -48.83 -48.81 41.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 22.0 p -58.34 -32.16 68.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.37 -21.81 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -63.91 162.1 14.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 p -132.21 121.39 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -102.38 165.84 10.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -91.03 -25.76 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -111.43 139.98 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 4.2 tppp? -60.27 -39.04 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -59.14 -48.89 79.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -56.26 -42.26 77.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 4.0 tmm_? -71.11 -39.99 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.62 -47.44 85.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.45 -41.04 96.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.8 -19.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mtp -71.76 -59.53 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.7 p -54.78 -40.36 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 mtp -45.01 -24.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 77.0 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 21.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.37 38.67 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.92 -46.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 p -113.58 -35.14 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.32 30.52 2.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -96.06 -178.2 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.651 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.8 mttm -156.08 164.29 38.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.4 m-85 -157.03 151.98 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -77.45 -44.35 29.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.486 ' CB ' ' CE1' ' A' ' 51' ' ' HIS . 7.6 mmt -98.9 151.99 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.13 -33.17 75.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CE1' ' CB ' ' A' ' 49' ' ' MET . 6.4 p80 -77.25 -26.32 52.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -67.49 -25.8 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 47' ' ' PHE . 28.2 tp -84.58 -39.13 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 t -53.8 -59.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.41 -24.03 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -94.07 -44.63 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -50.41 -29.67 10.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -54.18 -28.74 42.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -64.55 -27.94 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.431 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 62.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.1 tm-20 -147.39 124.48 11.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 3.9 t -51.7 169.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -110.26 -32.36 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.36 -66.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 p -85.35 -13.43 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 33.38 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -75.06 160.52 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -111.43 141.2 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -133.83 153.91 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -47.58 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -92.0 140.22 29.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 21.4 ttt85 -66.97 -47.52 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -51.74 22.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.0 t80 -57.94 -61.78 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -58.29 -44.65 88.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -52.27 -41.77 63.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -78.53 -56.71 4.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 37.7 t -46.28 -42.3 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -50.06 -55.78 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' LYS . 1.3 t -72.36 -53.63 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' SER . 30.7 t -37.78 -34.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.1 m -83.35 -40.56 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 3.1 mmmp? -37.83 -46.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -44.61 29.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -51.02 -52.71 40.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 29.8 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.718 0.771 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.81 157.89 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -55.05 -41.93 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -63.27 -27.06 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.78 -18.39 8.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.06 177.59 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 p -144.36 120.32 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 49.9 m-85 -103.78 143.19 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -67.53 -23.15 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -118.54 148.94 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' NH2' ' A' ' 25' ' ' ARG . 29.6 tptt -65.79 -42.91 90.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -56.71 -53.05 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -53.13 -36.03 60.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -77.79 -35.92 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.45 -52.84 59.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -55.3 -30.57 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.18 -19.46 53.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 mmm -85.05 -37.0 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.1 m -70.75 -29.58 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -75.57 -31.6 60.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 14.4 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.08 34.87 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 ' CG ' ' A' ' 60' ' ' HIS . 51.6 t -124.99 -43.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.6 -37.14 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.93 31.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mtpp -96.55 178.81 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.655 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 8.4 mtmp? -158.57 158.57 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 8.3 m-85 -154.79 150.83 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -78.99 -41.63 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.427 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 21.4 mmt -94.11 148.61 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.0 -36.05 82.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.471 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.9 p-80 -74.1 -34.01 63.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 37.0 m170 -60.83 -27.13 67.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.2 tp -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.0 t -53.1 -61.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 58' ' ' LYS . . . -42.97 -22.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 22.1 t60 -94.89 -45.68 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.13 -25.7 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' CD ' ' HA2' ' A' ' 55' ' ' GLY . 12.2 mtpt -58.58 -14.79 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.0 pt -82.69 -17.88 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.6 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE1' ' HD2' ' A' ' 78' ' ' ARG . 16.2 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 73' ' ' LYS . 4.1 tt0 -157.1 138.08 13.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.32 173.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.9 -59.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -92.21 -10.47 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.35 28.25 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -56.49 169.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -125.55 131.87 52.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.97 151.46 49.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.9 ttp -98.56 -30.73 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -91.92 150.56 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD2' ' CE1' ' A' ' 66' ' ' TYR . 3.8 tpt180 -77.31 -52.78 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -50.84 -47.49 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -63.38 -47.71 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.919 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 t80 -48.62 -53.59 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.82 -39.74 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 ttt-85 -55.16 -40.49 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.3 t60 -77.93 -56.18 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 81' ' ' PHE . 42.2 t -49.29 -50.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 83' ' ' ARG . 1.1 t -44.85 -29.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -98.45 -31.3 12.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.07 -11.12 46.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 m -86.52 -50.75 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -47.04 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -59.65 -39.56 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.06 -61.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.678 0.752 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.58 12.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.75 163.7 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.44 -38.92 81.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -69.37 -29.26 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.27 -25.38 4.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.27 173.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.2 p -138.6 133.96 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 73.1 m-85 -118.29 142.53 47.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.5 m -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -117.26 155.21 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ARG . 16.7 ttpt -67.44 -60.06 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -42.35 -43.54 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 4.1 tmm_? -79.43 -42.48 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.64 -53.98 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 10.1 ptm180 -55.68 -38.26 69.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 9.8 t-80 -67.89 -31.73 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.4 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 19.4 mtp -67.71 -48.76 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -51.68 -43.49 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.2 mtp -46.27 -51.69 14.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 12.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 29.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 38.11 2.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 60' ' ' HIS . 73.9 t -130.01 -47.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.25 -37.33 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.87 32.19 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.59 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -100.73 177.09 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.618 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 55.9 mttt -156.63 157.22 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -145.93 152.84 40.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -79.8 -43.35 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 13.8 mmt -92.09 170.75 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -47.13 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.2 OUTLIER -71.66 -10.51 59.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 26.9 m170 -81.01 -24.47 37.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 47' ' ' PHE . 34.4 tp -86.16 -40.32 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.8 t -52.1 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.49 -22.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 59' ' ' ILE . 26.3 t60 -97.96 -41.39 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.433 ' CE ' ' SG ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -55.66 -27.94 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -10.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -86.18 -19.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 81.9 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -143.39 147.02 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.11 173.04 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.94 -33.39 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.52 -62.78 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.9 p -91.32 -10.25 42.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.92 28.79 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -64.11 156.25 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 26.4 mtm105 -109.69 131.74 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.42 111.36 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 ppp? -62.49 -38.45 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' SD ' ' A' ' 76' ' ' MET . 11.4 m95 -75.48 174.4 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -103.59 -60.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -51.02 -49.24 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 m -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.06 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -60.41 -36.44 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -55.45 -40.43 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.2 t60 -77.67 -65.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 63.3 t -37.51 -44.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.3 m -48.0 -47.83 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' THR . 19.2 m -80.67 -51.43 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.78 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' GLU . 25.9 m -89.82 -49.06 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' THR . 6.9 mtmp? -34.67 -46.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -73.34 -48.47 34.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -50.68 -50.25 55.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 89' ' ' THR . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 4.0 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.72 33.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.94 162.7 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -52.38 -43.03 64.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -65.78 -30.41 71.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.54 6.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -61.57 172.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.7 p -134.63 126.48 29.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -109.18 153.36 23.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -71.58 -22.81 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -126.17 162.7 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.33 -40.44 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -59.55 -31.9 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -75.08 -36.43 61.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -75.4 -30.84 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.4 -51.29 45.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -30.62 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.1 t-80 -81.37 -14.1 57.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.0 mtp -84.08 -44.72 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -67.82 -40.61 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 3.2 ppp? -56.74 -31.94 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 19.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.29 37.58 2.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 60' ' ' HIS . 47.7 t -128.88 -44.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.8 p -115.24 -36.97 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.75 30.46 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 28.4 mttp -97.0 179.92 4.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.631 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 24.0 mttp -158.05 156.14 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -146.57 150.4 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -78.59 -41.93 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.582 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mmt -95.66 165.17 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.58 -47.48 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.42 -3.02 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.582 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 18.8 m170 -87.47 -23.56 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 47' ' ' PHE . 40.8 tp -88.01 -41.91 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.58 -57.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -45.81 -20.8 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.9 t60 -97.46 -44.18 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.61 -27.05 15.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 55' ' ' GLY . 13.5 ptmm? -57.0 -23.3 45.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 56' ' ' HIS . 4.4 pt -72.67 -30.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 80.9 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 9.4 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.4 tm-20 -148.3 125.87 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 4.3 t -53.81 172.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.97 -40.15 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -70.92 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.2 p -84.63 -10.99 56.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.03 26.19 16.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -66.43 157.37 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -114.0 134.5 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -127.27 157.35 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.558 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.4 ptm -98.6 -38.36 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 85.5 m95 -92.93 143.87 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 9.2 tpt180 -70.07 -41.99 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 2.9 p-10 -58.19 -39.32 78.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.83 -45.75 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 85' ' ' VAL . 40.1 t80 -53.46 -59.82 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -64.5 -45.28 87.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 86' ' ' THR . 61.6 ttt-85 -53.93 -38.97 65.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.9 t60 -81.8 -58.96 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 81' ' ' PHE . 46.9 t -46.82 -50.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 83' ' ' ARG . 2.5 t -43.49 -26.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -101.8 -40.77 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.9 -21.76 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 93' ' ' GLU . 28.4 m -86.63 -51.08 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' THR . 19.8 mtpp -34.53 -56.5 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 m -62.04 -43.22 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 6.1 t80 -56.68 -55.32 35.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.562 ' HG3' HG22 ' A' ' 89' ' ' THR . 22.4 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -67.18 -50.4 61.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -169.21 168.19 9.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.69 162.49 29.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -149.69 152.37 35.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -174.63 166.48 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 -124.0 3.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.416 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.07 129.03 12.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -98.24 130.9 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.95 -178.25 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.9 m-85 -132.03 111.49 14.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.72 148.0 64.35 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.734 2.289 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -114.18 162.71 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -52.43 -44.67 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.3 p -62.95 -31.83 73.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 -23.94 4.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.4 167.69 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.1 p -133.99 128.2 33.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.41 162.78 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.1 m -75.79 -32.36 59.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -116.6 163.4 16.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.598 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -77.05 -38.19 53.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -63.37 -34.05 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.82 -32.21 65.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.1 tmm_? -81.82 -31.91 31.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -66.11 -52.78 45.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -50.97 -31.53 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.27 -22.16 48.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 mtp -80.51 -45.65 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 p -63.38 -36.16 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -66.59 -36.0 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.9 m-70 -52.03 -54.08 34.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -44.56 166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.64 115.65 4.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.78 -57.81 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -131.4 148.34 69.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.8 -21.71 32.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 47.9 m-85 -109.99 124.1 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.1 133.34 6.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 19.5 t -79.52 105.4 10.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.25 33.22 2.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -123.23 -43.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -115.99 -38.15 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.2 31.23 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mttm -98.87 176.56 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 17.5 mtpt -155.37 155.94 34.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.3 m-85 -147.81 144.77 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -68.52 -45.37 72.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.86 165.1 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -78.65 -36.35 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -71.81 -27.92 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 17.6 m170 -69.29 -25.13 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 38' ' ' TYR . 25.4 tp -83.89 -39.98 19.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.13 -50.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.55 -12.44 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.805 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.7 t60 -107.76 -38.61 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.318 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.88 -25.71 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -8.58 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.9 pt -88.28 -18.99 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.411 ' CG ' HG11 ' A' ' 42' ' ' VAL . 83.1 m-70 -106.02 -33.7 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' HIS . 22.3 p -36.71 149.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.53 139.03 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.4 mt -72.52 144.53 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 74' ' ' ARG . 1.4 mptp? -106.48 95.2 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -25.39 28.81 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.284 . . . . 0.0 112.362 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.489 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 4.1 m-85 -104.98 127.72 52.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -137.15 143.62 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 85' ' ' VAL . 2.7 t -64.97 176.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.05 -36.4 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.9 mp -80.26 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.34 -7.51 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.04 29.92 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -66.72 157.34 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 64' ' ' LYS . 39.0 mtp85 -110.2 136.42 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -140.01 131.4 26.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.569 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.0 ptm -80.21 -38.68 30.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 46.5 m95 -80.19 153.87 28.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -85.11 -57.92 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 5.3 m-20 -46.53 -48.1 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -68.96 -39.78 79.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 t80 -55.92 -58.71 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -68.9 -42.2 77.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 27.6 ttm-85 -52.91 -38.47 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -78.91 -58.66 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 81' ' ' PHE . 87.6 t -47.04 -41.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -48.96 -46.91 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -81.64 -47.35 13.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.8 t -42.16 -31.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . 86.6 m -86.3 -44.79 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' THR . 4.8 mmmm -34.52 -51.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.5 m -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.5 t80 -52.02 -41.98 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -57.82 -46.21 85.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.78 55.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.53 -34.08 41.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -38.71 -43.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 37.85 39.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -46.95 2.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -133.85 40.96 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -119.4 94.91 4.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.3 t -73.98 132.92 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.4 m -84.88 90.16 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 133.03 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.05 161.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.5 t -97.32 161.31 13.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.92 128.39 8.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.449 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 179.01 3.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.8 m -131.48 121.43 24.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 p -83.0 0.94 42.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -114.12 -51.73 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -167.78 170.86 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.63 126.42 8.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 p -61.97 -57.06 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -166.67 152.23 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.3 170.08 17.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -136.53 167.92 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -143.62 157.13 44.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.47 176.47 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -123.16 122.93 26.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.676 0.75 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.24 9.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.74 158.56 15.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -56.22 -41.88 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.56 -28.84 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.09 -27.0 5.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -64.16 167.84 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.3 m -135.33 124.54 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -105.19 148.96 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.4 m -74.36 -26.18 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -111.44 133.64 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.86 -36.31 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -62.06 -39.56 92.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.13 -31.03 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -76.76 -42.84 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -60.58 -53.15 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.514 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 5.4 ptm180 -54.67 -32.28 59.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 2.2 t-80 -79.14 -26.32 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -81.63 -39.11 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -69.78 -35.79 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -67.29 -31.38 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -53.91 -49.86 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.04 164.61 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.4 -41.37 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 4.7 mp -86.96 175.93 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 8.2 mpt_? -132.01 159.01 73.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 54.5 Cg_endo -69.67 -21.54 33.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 64.8 m-85 -104.81 101.1 10.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.09 136.63 12.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 t -81.39 103.97 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.38 38.71 2.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 ' CG ' ' A' ' 60' ' ' HIS . 50.9 t -129.54 -45.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 17.1 p -114.35 -36.42 4.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 30.76 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 26.4 mttt -96.19 -179.28 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 31.7 mtmm -157.16 158.03 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 10.3 m-85 -151.78 151.1 30.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -76.12 -44.61 37.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.533 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 8.6 mmt -99.41 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -67.7 -32.27 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -74.21 -33.88 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.52 -25.57 68.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -81.6 -42.8 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' HIS . 43.1 t -53.59 -61.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.59 -27.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.7 t60 -94.31 -40.54 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.54 -27.95 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -56.16 -19.16 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -76.34 -19.35 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 84.2 m-70 -107.09 -40.77 5.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' HIS . 36.1 p -36.08 134.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -89.28 148.8 20.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 63' ' ' ILE . 5.4 mp -35.45 132.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.0 mppt? -104.13 94.85 7.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.499 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 53.4 Cg_endo -69.82 -0.48 7.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.348 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 26.9 m-85 -130.27 143.35 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -148.25 147.91 29.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.48 174.02 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -109.69 -39.63 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.66 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.1 mp -73.51 -63.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.4 p -89.27 -13.06 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.44 29.34 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -65.68 157.86 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -113.29 132.95 55.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -129.1 126.88 40.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.37 -42.74 82.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -94.54 134.87 36.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttm180 -60.79 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ARG . 30.1 t0 -37.77 -44.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -38.36 73.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.0 t80 -57.32 -67.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -57.13 -43.21 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -55.38 -47.68 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.8 t60 -69.85 -64.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 81' ' ' PHE . 46.6 t -39.32 -51.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.7 m -44.22 -41.1 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 m -85.2 -41.85 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.5 t -57.29 -23.72 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' LYS . 59.7 m -81.8 -50.57 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 32.8 mtpt -34.69 -46.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -66.22 -50.02 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.8 t80 -56.18 -43.77 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.86 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 12.4 ttmm -40.44 152.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 98' ' ' GLU . . . 69.14 32.73 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 97' ' ' ALA . 22.1 mm-40 30.3 53.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' GLU . 8.5 tt0 35.97 54.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -80.28 89.7 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 73.8 p -145.48 164.79 30.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.0 m -82.84 46.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -150.7 158.05 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.4 163.81 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -172.47 141.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.67 136.32 24.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -177.66 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 t -146.77 147.69 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 m -159.95 161.0 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.501 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -174.95 176.83 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -170.28 158.44 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.89 175.49 26.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -174.66 128.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -150.5 178.17 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.97 112.66 1.02 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -38.97 136.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -104.8 142.36 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 4.6 mt -148.85 167.08 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.3 m-85 -110.73 114.17 54.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.63 14.88 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -94.6 161.72 14.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -60.33 -39.02 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 26.8 p -67.36 -31.0 70.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.78 -30.74 3.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.22 160.86 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -133.36 130.81 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 6.5 m-85 -106.33 171.67 7.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.3 m -84.15 -34.34 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -109.85 167.2 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.7 ttpp -79.58 -38.63 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.9 m -62.57 -48.53 79.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.84 -38.42 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 7.2 tmm_? -76.46 -38.68 55.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -59.41 -54.62 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 25.9 ptt85 -52.43 -32.13 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.403 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 19.6 t-80 -77.1 -36.81 55.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.444 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 18.7 mtp -64.74 -47.87 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 p -49.11 -37.65 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.0 mtm -52.86 -40.73 63.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 10.1 m-70 -69.43 -39.53 77.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.95 -177.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.54 -165.62 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 36' ' ' ARG . 5.4 mt -119.75 77.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 6.3 mpt_? -145.01 144.64 24.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.72 -22.8 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 53.9 m-85 -107.73 143.26 36.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.52 128.14 2.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 t -77.08 105.51 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.0 33.94 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.52 -44.28 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.6 p -114.81 -39.15 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.31 31.03 1.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 31.8 mttt -98.74 176.46 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.607 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.5 mttt -153.84 156.2 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.6 m-85 -145.28 148.56 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG3' ' HG2' ' A' ' 49' ' ' MET . 0.5 OUTLIER -70.39 -44.95 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.537 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 15.9 mmt -100.56 167.55 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -73.85 -49.79 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.7 OUTLIER -62.4 -35.1 78.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 64.7 m170 -57.75 -30.14 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 38' ' ' TYR . 14.2 tp -83.98 -37.22 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 t -52.8 -60.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.67 -26.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -92.43 -40.81 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -56.55 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -58.64 -16.01 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -84.3 -15.18 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -110.66 20.81 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.6 p -128.65 137.24 51.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.5 142.68 17.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.57 130.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.392 . . . . 0.0 111.073 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -102.15 97.7 8.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.948 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.51 3.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.532 ' HB3' ' CG ' ' A' ' 81' ' ' PHE . 31.1 m-85 -137.42 135.01 36.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -144.42 135.14 24.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.35 173.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 1.5 p-10 -111.28 -30.74 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -82.85 -65.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.97 -10.97 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.4 28.73 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 84' ' ' HIS . 16.9 mtmt -72.13 156.71 38.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -113.01 139.79 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -134.05 119.21 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.0 ttp -59.94 -43.25 95.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -81.69 153.16 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -78.47 -53.77 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.5 -36.0 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.9 p -66.66 -28.58 68.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.2 t80 -70.77 -63.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -60.24 -44.27 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -50.85 -44.59 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.544 ' CE1' ' HE3' ' A' ' 73' ' ' LYS . 2.0 t60 -80.17 -57.91 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 81' ' ' PHE . 61.5 t -44.05 -50.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -42.17 -42.27 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -83.47 -54.06 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.1 t -38.59 -35.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.0 m -82.12 -45.68 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' THR . 2.9 mmmm -33.97 -55.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -68.29 -41.3 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.3 t80 -53.99 -51.54 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -53.42 -46.47 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.35 -45.17 54.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.26 -62.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -40.38 -48.01 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.72 47.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.95 -45.52 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -55.43 -46.38 76.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.87 98.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.3 t -63.18 144.19 57.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.415 HG22 ' CD ' ' A' ' 103' ' ' GLU . 21.9 m -98.33 152.87 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' CD ' HG22 ' A' ' 102' ' ' THR . 3.8 pm0 -35.65 146.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.9 152.22 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -106.8 165.43 11.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.1 175.52 19.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.2 p -85.54 153.56 22.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.6 m -132.21 171.67 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.502 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 p -169.21 115.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -170.4 140.78 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.06 -171.11 38.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.427 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -107.1 177.66 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -131.18 -42.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.2 -146.63 17.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.8 125.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.93 133.4 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -143.08 161.43 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.2 m-85 -123.2 121.81 26.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.79 125.85 12.6 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 t -96.61 158.99 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -53.99 -47.03 71.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 p -59.39 -27.53 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.18 -26.32 5.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -60.57 174.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 m -142.52 129.49 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -112.4 142.69 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -65.02 -26.51 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -112.72 149.37 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 16.2 tptm -69.33 -38.87 78.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -61.72 -41.72 98.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -62.79 -32.08 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -80.9 -31.94 34.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.51 -55.02 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -55.51 -32.04 62.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -74.03 -33.71 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.95 -48.62 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 p -51.59 -43.66 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.3 mtm -48.06 -52.78 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 25.7 m-70 -45.7 -43.79 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.1 mt -81.48 174.61 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.629 ' C ' HD12 ' A' ' 35' ' ' LEU . . . 165.5 73.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.629 HD12 ' C ' ' A' ' 34' ' ' GLY . 7.1 mp -128.21 94.96 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -104.11 126.18 32.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.2 Cg_endo -69.79 -19.93 35.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 44.1 m-85 -98.58 113.48 25.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.85 136.52 8.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 t -82.67 105.84 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.16 29.42 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.85 -42.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.97 -36.73 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.2 31.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 22.0 mttp -97.89 178.67 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 62.8 mttm -158.55 152.62 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.2 m-85 -145.59 148.21 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -72.14 -44.03 63.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 16.6 mtt -95.44 160.51 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 16.8 pttm -70.53 -49.29 49.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 8.9 p-80 -63.24 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.459 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 11.0 m170 -58.75 -25.22 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 29.6 tp -88.17 -38.73 15.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.9 t -54.31 -59.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.35 -19.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.8 t60 -100.6 -36.79 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -58.35 -27.49 64.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -56.18 -26.33 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' HIS . 2.4 pt -70.82 -16.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -108.91 10.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' MET . 34.1 p -116.74 110.94 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.56 174.48 33.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.39 137.84 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 38.2 mttt -95.7 120.82 62.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 54.0 Cg_endo -69.74 -11.01 29.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.551 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 44.6 m-85 -116.29 160.27 20.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 9.0 tt0 -172.0 141.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.5 t -73.54 172.56 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 -41.5 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.56 -65.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -85.96 -8.3 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.29 26.39 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -64.23 167.65 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 64' ' ' LYS . 44.0 mtp180 -125.82 139.9 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -139.78 136.91 34.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ttp -82.28 -43.58 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -82.94 149.35 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -77.98 -56.16 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -42.17 -56.17 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -61.31 -37.35 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 66' ' ' TYR . 44.8 t80 -61.84 -71.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -49.01 -38.85 24.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.61 -39.85 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -74.25 -60.6 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 81' ' ' PHE . 54.8 t -42.55 -53.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.8 m -52.49 -47.78 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 t -86.27 30.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 t -126.15 -27.36 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 89' ' ' THR . 44.6 m -89.11 -12.7 40.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -58.11 -53.92 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -72.66 -49.71 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 1.9 t80 -41.19 -49.47 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -56.0 -39.43 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.43 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.72 97.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -42.47 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.47 63.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.063 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -98.59 -41.37 7.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -78.62 -44.3 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 101' ' ' THR . 8.1 t30 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 100' ' ' ASN . 22.0 m -34.28 140.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' THR . 43.6 p -35.79 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -148.08 -177.08 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.51 137.68 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 92.6 p -162.11 170.88 18.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -177.34 135.4 2.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.85 6.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -166.38 148.55 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.0 t -161.94 164.98 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -174.87 146.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -169.05 157.98 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.02 162.47 29.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -133.54 154.96 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -156.85 136.65 12.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.98 -164.36 22.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -143.22 149.58 38.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -132.95 155.26 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -140.88 176.69 8.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 2.0 m-85 -115.21 116.48 42.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.706 0.765 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 54.0 Cg_endo -69.8 122.54 9.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.3 t -92.43 158.71 15.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -55.66 -45.67 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 29.5 p -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.62 -24.84 4.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.37 161.39 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.5 m -134.39 127.83 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 22.8 m-85 -108.55 159.75 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.9 m -82.91 -22.81 33.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -115.16 142.43 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.8 tppt? -59.52 -36.94 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -64.29 -53.93 41.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.86 -31.53 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 4.2 tmm_? -79.03 -36.44 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.534 ' CG ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -64.34 -54.65 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 10.7 ptm180 -51.12 -31.2 18.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -81.89 -19.66 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mmm -86.96 -35.39 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.8 p -70.61 -29.97 66.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 6.4 ptt? -71.78 -31.87 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.3 m-70 -56.19 -47.5 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.03 176.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -37.89 157.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.36 -174.97 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -112.57 139.06 22.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.4 Cg_endo -69.72 -17.71 37.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 68.8 m-85 -99.01 116.36 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.81 116.25 1.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 t -65.63 107.37 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.62 29.87 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG11 ' CG ' ' A' ' 60' ' ' HIS . 43.0 t -120.68 -43.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.49 -38.52 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.57 30.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 6.5 mtpt -95.99 -176.21 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.606 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 54.1 mttm -160.6 161.07 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 9.7 m-85 -152.14 151.07 30.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -70.51 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 7.7 mmt -104.72 164.93 11.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 14.3 ptpt -69.69 -49.07 57.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -55.31 -38.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -60.62 -31.76 70.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 38' ' ' TYR . 38.2 tp -78.12 -41.58 34.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.9 t -53.19 -61.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.81 -23.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.858 ' O ' HG23 ' A' ' 59' ' ' ILE . 13.0 t60 -95.03 -43.35 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.76 -26.89 15.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.32 -14.77 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.6 pt -81.09 -17.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.1 m-70 -111.58 -52.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -56.68 -176.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.62 54.03 2.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.4 117.94 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 132.59 21.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -44.58 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -138.93 173.97 11.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -162.49 142.52 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.95 174.1 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -108.88 -37.57 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -77.84 -66.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.45 -14.31 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.06 26.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -63.94 155.17 31.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -109.43 136.18 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 81' ' ' PHE . 4.8 m-85 -118.68 -174.95 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -117.48 -32.66 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -127.53 144.75 51.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.66 -55.94 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 27.3 t0 -44.39 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -40.83 80.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.1 t80 -61.9 -61.36 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -61.3 -39.13 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 24.1 ttm180 -53.16 -33.67 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.61 -50.14 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.94 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.5 t -51.49 -40.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -50.61 -27.51 6.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.2 t -102.3 -43.31 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.5 t -53.59 -19.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 14.0 m -90.87 -45.47 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 7.2 mtpm? -35.75 -57.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -57.42 -46.85 83.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -56.37 -39.27 72.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.34 -33.02 74.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.25 -26.42 47.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.93 -61.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -47.73 166.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 65.27 38.03 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -58.93 -48.37 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 7.3 pt20 -77.53 -45.05 26.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 99' ' ' GLN . 16.7 m-80 -51.0 -47.56 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -102.47 143.52 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -59.29 85.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -134.98 102.45 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.83 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.8 p -116.06 -175.21 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.44 -64.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.504 ' O ' ' C ' ' A' ' 108' ' ' SER . 54.0 Cg_endo -69.78 7.9 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 107' ' ' PRO . 88.7 p -28.35 131.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 t -130.46 129.5 43.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.53 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -174.78 141.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -172.22 176.7 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.38 148.53 5.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -167.17 175.71 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -136.13 162.61 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.16 168.87 33.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' OD1' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -170.56 126.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.81 141.4 29.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 8.3 mt -151.16 170.31 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.99 125.91 22.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.673 0.749 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -91.06 163.65 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.4 p -63.84 -26.39 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.88 -20.98 7.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -62.34 168.95 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -135.13 126.58 28.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.43 148.49 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 m -74.13 -26.62 60.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -109.98 146.55 35.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -66.26 -43.3 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -57.88 -46.92 84.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -55.53 -39.84 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.7 tmm_? -73.04 -40.8 64.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.24 -52.93 63.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -56.49 -30.45 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -83.52 -13.43 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -87.94 -43.47 11.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 t -67.34 -36.18 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -36.95 80.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 28.4 m-70 -56.25 -53.69 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -45.33 170.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.31 -170.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -83.1 -179.31 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.81 156.5 35.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.72 -19.72 35.94 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 52.8 m-85 -100.89 103.66 14.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.12 140.49 12.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.8 t -87.21 105.04 16.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 24.66 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.5 t -112.57 -43.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.93 0.395 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 p -116.16 -36.82 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.47 31.41 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.8 mttp -97.0 -179.67 4.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.5 mttm -158.04 155.79 29.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 3.8 m-85 -149.98 158.11 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -85.39 -43.32 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.457 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 24.0 mmt -96.33 156.27 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -71.39 -30.77 66.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 4.3 p-80 -78.4 -30.82 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 47' ' ' PHE . 31.2 tp -82.88 -40.07 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' HIS . 23.6 t -54.52 -61.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.56 -22.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.2 t60 -95.97 -44.96 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.7 -26.4 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -58.87 -12.55 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.0 pt -84.04 -16.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.2 m-70 -107.38 -29.83 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -39.66 121.9 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.75 119.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 63' ' ' ILE . 5.4 mp -54.58 118.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 26.9 mmtt -93.76 110.37 47.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 53.6 Cg_endo -69.72 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.29 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 20.1 m-85 -87.5 160.57 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -169.64 126.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 85' ' ' VAL . 1.6 t -53.36 171.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -113.01 -34.94 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.42 -64.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.9 p -84.86 -10.81 56.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.45 31.37 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -76.65 161.07 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 85.3 mtt180 -115.62 151.19 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 74' ' ' ARG . 63.3 m-85 -148.32 153.08 38.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.584 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 12.1 ptm -96.08 -22.55 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 79.6 m95 -95.02 156.36 16.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -89.68 -53.02 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -53.18 -52.53 58.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -60.11 -35.48 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.0 t80 -59.85 -65.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -55.74 -47.5 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.8 -40.93 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.1 t60 -66.8 -52.03 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 81' ' ' PHE . 35.5 t -56.37 -34.09 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -51.23 -41.69 60.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 m -76.67 -31.55 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.9 m -87.34 -53.72 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' THR . 16.6 mtpp -34.4 -38.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -84.59 -50.15 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -48.94 -41.41 33.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -52.62 -29.53 26.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -21.94 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.59 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -54.04 153.01 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 60.47 38.68 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -76.73 -42.88 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -104.95 42.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -72.3 157.36 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 101' ' ' THR . 23.1 m 51.65 38.46 22.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 m -121.71 123.33 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -93.04 74.23 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.59 169.87 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.4 p -85.72 106.01 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.61 137.53 13.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 178.08 4.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -141.59 155.21 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t 62.53 42.11 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -168.71 167.19 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -168.97 174.29 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 -170.72 26.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -168.25 177.38 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -174.77 173.49 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -78.07 -179.07 49.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -163.36 149.64 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -112.02 160.34 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.96 -178.43 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.1 m-85 -127.96 116.74 20.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.26 39.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.8 t -106.8 163.82 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -56.43 -42.21 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.38 -27.5 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.01 174.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -137.86 133.04 33.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 31.7 m-85 -116.02 144.18 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -61.76 -28.93 69.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -116.11 163.47 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -81.15 -38.35 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -60.84 -42.09 97.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -65.75 -37.07 85.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 1.1 tmm_? -71.02 -37.56 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -67.47 -53.67 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.23 -31.68 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -78.38 -29.94 47.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.9 mtp -63.56 -44.23 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -57.17 -41.39 79.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.9 mtp -46.2 -48.46 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 17.7 m-70 -54.82 -28.82 52.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.47 45.61 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.76 162.07 54.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -97.15 45.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -140.18 111.4 7.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 41.0 m-85 -98.08 105.75 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.38 136.69 12.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.12 108.1 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.75 33.28 2.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.496 HG11 ' CG ' ' A' ' 60' ' ' HIS . 58.8 t -123.92 -46.58 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.23 -36.56 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.34 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 40.2 mttt -96.77 -178.59 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 38.4 mtmt -159.35 153.95 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.2 m-85 -147.93 141.2 25.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -66.49 -43.82 84.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.1 mmt -95.71 158.07 15.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 18.6 pttp -71.4 -46.35 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.3 p-80 -63.06 -32.22 73.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -61.04 -26.79 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 57' ' ' MET . 37.1 tp -82.38 -41.95 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.9 t -54.88 -50.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.32 -12.59 3.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 59' ' ' ILE . 11.7 t60 -108.44 -38.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -57.44 -27.2 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -60.67 -9.48 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.859 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.5 pt -86.38 -17.53 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.4 m-70 -105.84 -38.91 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -40.46 151.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.04 168.08 13.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 65' ' ' PRO . 39.7 mm -67.09 141.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -113.38 70.71 1.5 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.93 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 63' ' ' ILE . 54.1 Cg_endo -69.71 -43.71 2.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 9.8 m-85 -119.41 148.93 42.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 68' ' ' CYS . 28.0 tt0 -152.88 133.8 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 6.0 t -58.86 169.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.467 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -107.91 -32.6 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.3 mp -77.94 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.0 p -82.79 -20.52 35.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 71' ' ' CYS . . . 73.25 25.83 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -63.32 167.67 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -126.74 135.88 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -126.3 165.68 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.6 ttp -115.39 17.19 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -151.16 133.87 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 18.7 tpt180 -58.57 -46.45 86.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -53.2 -53.72 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -59.68 -42.39 92.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.954 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.4 t80 -50.81 -60.04 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -65.85 -44.35 85.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -51.6 -32.66 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -90.37 -56.84 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 81' ' ' PHE . 24.6 t -48.41 -48.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.1 t -46.39 -30.29 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -95.37 -45.53 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -54.68 -17.59 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.2 m -91.11 -49.82 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 14.8 mtpt -36.03 -61.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.4 m -55.96 -50.36 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.1 t80 -49.89 -59.06 4.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -43.52 -45.79 6.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.24 83.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -47.88 174.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.12 74.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -85.57 -43.5 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 21.7 pt20 -101.24 -45.79 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 99' ' ' GLN . 5.7 m-20 -53.51 139.2 31.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.0 m -74.01 -51.89 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.7 t -43.97 133.03 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.81 175.89 9.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.72 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.6 p -70.61 171.63 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.67 142.08 15.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -177.89 2.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.299 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.9 p -134.85 163.9 28.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 t -108.35 169.97 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.529 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -170.73 121.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -140.53 169.68 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.41 -174.59 13.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -154.16 129.25 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -172.09 175.55 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.15 -78.73 1.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.33 153.96 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 149.28 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -133.33 179.62 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 -127.59 99.22 27.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.7 0.762 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 54.1 Cg_endo -69.7 136.59 33.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.2 t -93.4 163.77 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -52.42 -46.73 66.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.0 p -59.41 -30.26 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.66 -23.62 4.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 27.7 mtpp -52.76 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.8 m -157.91 122.92 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 7.3 m-85 -113.59 146.67 39.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -63.11 -32.45 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -108.84 161.7 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -80.41 -36.35 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.2 t -62.99 -41.64 99.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -64.18 -35.5 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 5.7 tmm_? -76.04 -30.71 58.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -56.14 -25.94 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -93.54 -7.69 43.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 mtp -85.87 -55.03 4.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.9 m -56.73 -44.31 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.3 ptm -41.72 -33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m-70 -70.79 -49.85 42.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -65.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . 99.17 -95.24 1.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -123.23 -27.0 4.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 47' ' ' PHE . 41.1 mtt85 -107.31 100.48 33.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.68 -11.47 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 37' ' ' PRO . 44.3 m-85 -106.93 149.36 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.94 145.18 11.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 26.5 t -91.26 103.55 16.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.53 2.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.9 t -128.81 -45.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -113.2 -37.04 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.09 31.96 1.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 17.6 mttp -98.21 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 71.9 mttt -158.02 155.29 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 6.6 m-85 -149.55 146.38 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -73.95 -39.29 63.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 14.1 mmt -98.47 146.79 25.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -64.98 -31.64 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.0 p-80 -77.22 -33.91 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -62.15 -25.82 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.9 tp -82.99 -37.77 23.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' HIS . 22.8 t -56.21 -62.68 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.84 -25.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 20.9 t60 -93.62 -44.05 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.65 -27.44 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -58.16 -12.54 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.8 pt -83.54 -18.94 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' NE2' HD11 ' A' ' 59' ' ' ILE . 79.9 m-70 -109.99 -42.76 4.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -64.95 115.84 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 167.71 34.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.412 HG22 ' HD3' ' A' ' 65' ' ' PRO . 81.6 mt -104.09 137.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.3 mppt? -112.58 78.05 2.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD3' HG22 ' A' ' 63' ' ' ILE . 53.8 Cg_endo -69.78 -9.23 25.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.302 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 6.0 m-85 -116.15 158.76 22.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -161.0 142.14 11.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 t -64.75 175.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.855 ' OD1' HD12 ' A' ' 70' ' ' ILE . 7.6 p-10 -112.09 -32.43 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.855 HD12 ' OD1' ' A' ' 69' ' ' ASN . 5.4 mp -83.09 -63.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -87.74 -0.83 57.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 50.21 29.74 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -67.52 162.31 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -116.78 137.18 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -132.08 155.98 47.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.7 ttp -100.33 -45.44 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -85.29 135.81 33.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 66' ' ' TYR . 13.5 tpt180 -64.12 -49.13 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.69 -40.49 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -71.89 -44.98 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.5 t80 -50.73 -57.49 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HE ' ' A' ' 78' ' ' ARG . 5.5 m170 -67.49 -41.0 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -51.66 -49.62 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -72.27 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 81' ' ' PHE . 58.0 t -42.91 -42.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -48.02 -46.95 33.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.9 t -81.81 -49.87 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.9 t -42.23 -30.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.567 HG22 ' HG3' ' A' ' 93' ' ' GLU . 7.5 m -81.29 -46.3 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 20.7 mmmt -34.4 -57.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.1 m -57.06 -52.22 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.51 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.567 ' HG3' HG22 ' A' ' 89' ' ' THR . 45.3 mt-10 -46.53 -43.68 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' GLU . . . -61.7 -47.78 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -74.43 166.43 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 99' ' ' GLN . . . 60.29 35.55 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 31.2 mt-10 -58.79 81.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' ALA . 34.5 mm-40 38.62 40.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 102' ' ' THR . 5.1 p30 -46.8 162.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 t -51.28 136.03 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 100' ' ' ASN . 57.9 p -138.76 124.4 19.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 86.65 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.45 147.48 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -141.0 151.29 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.63 68.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.05 39.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.4 p -108.89 146.63 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -58.69 161.65 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.492 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -174.07 119.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -138.91 175.41 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.27 149.78 5.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -174.2 157.13 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 p -169.12 160.46 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 170.92 159.36 16.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.1 m-20 -163.33 174.62 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -159.96 160.12 33.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -145.08 177.08 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -125.81 119.9 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.651 0.739 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.29 25.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.606 2.204 . . . . 0.0 112.362 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -111.68 152.48 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -47.07 -47.65 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -55.28 -29.73 58.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.32 10.85 14.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -91.37 179.78 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -142.92 115.2 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.98 173.67 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -93.44 -27.04 16.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -114.36 158.54 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -72.32 -52.93 13.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 t -51.58 -45.51 63.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.29 -46.06 76.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.4 tmm_? -70.02 -39.72 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -61.64 -52.65 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 7.3 ptp180 -57.57 -34.93 69.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 4.0 t-80 -67.76 -39.05 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.7 mtp -62.8 -46.72 86.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 m -55.47 -43.38 75.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 28.3 mtm -49.23 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' MET . 12.8 m-70 -34.73 -45.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -67.18 75.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.35 58.04 0.1 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HE2' ' A' ' 46' ' ' LYS . 19.6 mt -151.93 138.69 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.81 134.01 75.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 53.7 Cg_endo -69.79 -10.26 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 47' ' ' PHE . 20.4 m-85 -94.77 37.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.66 116.1 7.14 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 t -64.99 108.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.45 31.95 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.1 t -121.72 -41.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 15.5 p -120.59 -40.99 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.83 30.6 1.22 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -97.06 177.86 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mtmp? -147.58 163.42 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' ' 53' ' ' LEU . 10.4 m-85 -159.67 116.8 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -53.3 -34.11 56.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.8 mmt -102.55 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -89.06 -27.28 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.452 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 12.3 p-80 -82.42 -29.38 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 8.3 m170 -65.8 -25.73 67.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 47' ' ' PHE . 21.6 tp -82.88 -41.18 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.91 -58.33 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.75 -21.85 0.64 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 59' ' ' ILE . 8.2 t60 -96.69 -44.13 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.547 ' O ' HG22 ' A' ' 61' ' ' THR . 0.1 OUTLIER -50.26 -31.73 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 61' ' ' THR . 33.8 mttm -51.55 -30.15 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -66.16 -35.88 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 71.2 m-70 -83.12 -58.08 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 57' ' ' MET . 5.2 t -58.88 126.32 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.81 -106.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.88 114.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -109.61 77.53 1.03 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.93 5.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 8.6 m-85 -90.78 159.18 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -160.78 129.76 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.78 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.82 -40.06 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -72.66 -59.95 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.69 -7.64 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.5 25.97 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -57.67 163.15 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.59 123.29 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.29 171.77 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 ttp -111.43 -48.86 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -81.05 137.14 36.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 26.4 ttp180 -62.75 -56.12 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -44.49 -58.01 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.9 m -59.28 -40.68 86.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 85' ' ' VAL . 4.7 t80 -57.66 -65.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -57.03 -42.43 80.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -52.52 -53.54 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.8 t60 -65.6 -54.37 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 81' ' ' PHE . 61.4 t -47.44 -44.58 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.8 m -50.86 -59.5 4.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -65.36 -35.21 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.8 t -54.47 -21.09 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.509 HG22 ' HG3' ' A' ' 93' ' ' GLU . 6.5 m -89.02 -49.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.6 OUTLIER -35.52 -33.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' THR . 3.1 m -85.9 -53.66 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 2.8 t80 -48.88 -45.22 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.509 ' HG3' HG22 ' A' ' 89' ' ' THR . 25.2 mt-10 -41.06 -43.28 2.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.47 87.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' TYR . . . -73.48 -35.47 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 97' ' ' ALA . 2.9 ttmp? -39.75 159.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.485 ' N ' ' HG2' ' A' ' 96' ' ' LYS . . . -102.33 77.07 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -79.31 42.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 55.79 47.69 19.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -75.97 162.83 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.7 p -51.36 114.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.5 t -45.05 165.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 66.91 40.66 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.46 82.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLY . 12.4 t -170.4 148.83 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' SER . . . -36.58 146.72 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -46.56 1.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.2 p -170.95 139.85 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -125.69 149.27 48.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.485 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -164.73 120.39 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -104.35 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.42 -161.31 9.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -155.23 175.99 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -165.67 174.88 9.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.53 -36.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 69.18 38.85 1.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.02 163.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.84 170.63 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 16.7 m-85 -130.28 124.42 21.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.651 0.739 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.39 35.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.54 152.62 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.07 -49.82 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 p -52.33 -31.5 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.94 8.31 13.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.81 174.4 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -137.08 113.2 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -94.17 175.26 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -95.29 -28.67 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -114.01 138.64 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 ttpp -54.43 -43.26 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 p -56.19 -60.66 3.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -45.24 -39.67 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.3 tmm_? -73.15 -35.73 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -68.64 -54.5 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -57.52 -32.59 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 9.8 t-80 -71.53 -33.85 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.448 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 20.9 mtp -65.72 -48.29 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.2 m -54.54 -41.04 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.8 mtm -49.81 -47.39 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 17.8 m-70 -52.9 -57.5 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -58.93 -57.81 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.9 177.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.9 mt -127.43 141.05 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -86.44 135.38 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.76 -22.74 31.66 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.499 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 58.7 m-85 -99.62 116.87 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.77 137.27 9.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.14 107.03 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.2 30.41 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 60' ' ' HIS . 55.9 t -120.3 -44.55 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.1 p -114.67 -36.03 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.72 31.13 2.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 39.6 mttt -96.26 179.38 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.2 mttp -158.73 152.83 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 2.3 m-85 -146.47 145.68 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -73.85 -42.45 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.466 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 20.9 mmt -93.29 159.67 15.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -74.88 -47.34 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.491 ' N ' ' HD3' ' A' ' 50' ' ' LYS . 1.4 p80 -69.57 -10.79 59.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 7.9 m170 -80.9 -23.54 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 tp -86.41 -42.03 13.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 t -52.27 -58.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.2 -23.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.863 ' O ' HG23 ' A' ' 59' ' ' ILE . 14.8 t60 -96.74 -43.65 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.5 -27.24 10.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -58.79 -11.01 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.863 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -86.35 -16.97 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CG ' HG11 ' A' ' 42' ' ' VAL . 91.1 m-70 -108.85 -35.3 6.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 39.4 p -37.66 120.29 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.12 172.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.72 126.51 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -83.9 121.72 75.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 54.0 Cg_endo -69.78 -29.12 24.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 32.8 m-85 -107.89 157.35 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 7.0 tt0 -165.32 143.21 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 2.8 t -72.56 166.29 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -107.38 -25.96 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -82.14 -65.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -87.19 -12.79 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 65.58 33.09 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -71.41 165.5 23.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -119.7 139.58 52.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 6.3 m-85 -131.26 152.5 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 ttp -108.96 15.48 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -149.12 145.62 27.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -70.12 -56.78 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.01 -49.73 30.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.5 m -65.05 -44.57 88.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.9 t80 -51.81 -58.14 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -65.41 -42.05 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -49.28 -39.77 31.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 4.8 t60 -85.35 -61.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 54.3 t -38.92 -49.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -45.88 -56.07 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -68.69 -44.73 73.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.95 -32.23 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TYR . 3.1 m -78.74 -50.62 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' THR . 29.2 mtpt -35.83 -46.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -68.93 -43.14 75.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.7 t80 -58.14 -47.68 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -69.76 -38.0 76.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.1 86.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.96 93.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -92.05 149.65 21.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.5 44.42 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -72.29 -44.45 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -46.01 -47.82 16.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.9 168.84 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.8 m -98.01 152.2 19.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 103' ' ' GLU . 8.5 t -39.43 134.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 102' ' ' THR . 22.3 mt-10 -36.77 127.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.86 170.11 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.7 t -47.21 -55.02 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 133.92 120.3 2.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -179.48 2.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -45.32 128.78 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -76.9 -50.59 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.504 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -169.89 164.95 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -174.09 177.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.77 176.24 39.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -149.63 175.4 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -152.78 176.38 11.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.99 136.43 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.71 175.86 5.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.356 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -163.41 156.55 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.9 -177.88 5.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 8.1 m-85 -131.34 103.15 15.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.748 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.11 46.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.27 163.36 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.4 -46.98 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -58.24 -32.76 68.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.98 -20.23 5.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -60.18 -175.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 m -154.84 127.09 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.78 161.83 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 m -72.39 -32.26 66.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -116.12 164.04 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.57 -36.04 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 p -64.85 -34.12 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -74.53 -29.59 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.9 tmm_? -83.72 -31.43 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -64.66 -52.68 56.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -49.15 -29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.96 -24.42 33.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mtp -81.87 -37.43 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -69.92 -33.89 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 32' ' ' HIS . 2.2 ptt? -69.6 -31.53 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 31' ' ' MET . 15.6 m-70 -56.03 -44.48 78.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.02 105.16 3.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.34 150.13 8.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.8 mt -49.98 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -139.68 137.74 19.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.1 Cg_endo -69.82 -23.26 30.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.264 . . . . 0.0 112.285 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 67.1 m-85 -102.92 161.88 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.77 136.56 4.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -84.89 105.15 15.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.56 37.5 2.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 60' ' ' HIS . 57.4 t -129.3 -45.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.1 p -112.71 -39.06 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 50.6 mttt -100.63 179.44 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 9.7 mtmp? -158.1 154.92 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 2.9 m-85 -143.88 140.76 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -66.91 -43.43 83.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mtt -97.3 155.48 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -66.83 -60.98 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.4 OUTLIER -56.69 -14.99 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 14.4 m170 -77.18 -24.07 51.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 47' ' ' PHE . 33.6 tp -86.36 -39.75 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' HIS . 15.2 t -52.99 -61.28 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.875 ' O ' HG23 ' A' ' 59' ' ' ILE . 18.2 t60 -93.7 -43.24 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.55 -27.22 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -57.97 -14.58 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.875 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.7 pt -80.73 -17.93 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 76.8 m-70 -111.52 -49.35 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.4 p -61.18 85.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.53 155.56 0.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.0 mt -128.83 122.07 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -102.6 109.29 60.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.51 10.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 1.8 m-85 -93.85 146.32 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.1 t -61.29 168.95 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 2.1 p-10 -109.38 -24.74 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.4 -66.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -83.52 -13.39 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.56 34.41 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -77.16 164.36 25.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HB3' ' CB ' ' A' ' 64' ' ' LYS . 55.4 mtt180 -113.24 128.71 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -134.27 105.97 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.553 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 3.9 ppp? -61.83 -32.82 73.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.553 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 32.9 m95 -82.38 127.42 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 23.3 ttm-85 -64.24 -44.91 90.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -56.56 -51.55 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -62.04 -44.58 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.917 ' O ' HG23 ' A' ' 85' ' ' VAL . 16.2 t80 -50.86 -58.13 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.422 ' CE1' ' NH1' ' A' ' 78' ' ' ARG . 66.7 m80 -68.59 -41.38 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -57.96 -30.98 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 1.9 t60 -89.98 -54.4 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 81' ' ' PHE . 48.9 t -49.91 -44.87 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 t -49.75 -26.84 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -98.84 -47.42 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.96 -23.78 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . 19.5 m -87.47 -51.15 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' THR . 37.1 mttp -34.27 -49.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.0 m -68.86 -49.89 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -49.72 -55.2 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -60.8 -41.03 94.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.06 -51.26 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.85 56.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -51.24 -44.62 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.31 -17.94 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -84.68 -43.79 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 40.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -80.42 148.81 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.0 m -128.33 152.94 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 49.1 p -68.28 114.57 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.8 149.27 51.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -113.04 129.94 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.9 p -70.25 107.44 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -41.53 146.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.92 15.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.631 2.221 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 t -168.27 165.21 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.9 p -163.68 169.62 18.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.539 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -173.34 176.54 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -172.73 175.01 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.16 -166.07 16.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -174.55 154.22 2.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -160.43 163.91 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 166.66 39.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -158.65 125.07 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -85.16 161.75 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 20' ' ' THR . 4.1 mt -142.05 161.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 4.4 m-85 -124.16 122.37 26.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.628 2.218 . . . . 0.0 112.397 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 t -97.72 163.11 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -58.88 -38.15 78.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.5 p -69.22 -28.0 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.25 -24.38 5.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -61.42 176.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -141.64 133.51 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -117.42 136.96 52.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.406 ' HA ' HD23 ' A' ' 10' ' ' LEU . 98.4 m -55.86 -29.28 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -115.59 156.73 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.5 tttp -69.04 -59.77 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -43.09 -42.53 4.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.51 -35.83 74.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 26' ' ' ASP . 3.5 tmm_? -74.44 -41.94 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 9.1 t0 -61.09 -56.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -49.17 -34.47 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -72.56 -34.03 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.434 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 32.0 mtp -67.53 -41.83 83.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -56.75 -35.69 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtm -62.56 -39.19 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 12.0 m-70 -54.83 -58.89 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.09 93.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' HIS . . . 149.58 45.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.35 169.75 13.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -86.36 151.3 53.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.843 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.5 Cg_endo -69.82 -23.24 30.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 59.7 m-85 -101.16 111.33 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.64 139.39 11.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -85.94 105.5 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.54 34.02 2.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' A' ' 60' ' ' HIS . 48.3 t -123.91 -44.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 p -114.88 -40.1 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.05 31.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -98.28 -177.95 3.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.3 mtmm -156.91 159.4 38.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 13.4 m-85 -151.07 149.08 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -44.12 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.584 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 4.9 mmt -103.46 156.17 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.67 -46.25 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 3.5 p-80 -60.97 -40.21 92.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 29.2 m170 -55.37 -30.02 59.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 47' ' ' PHE . 23.3 tp -82.91 -39.15 21.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.1 t -55.16 -62.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.15 -24.26 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.4 t60 -95.15 -43.47 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.68 -27.46 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -58.29 -11.35 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.9 pt -85.61 -17.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.484 ' CG ' HG11 ' A' ' 42' ' ' VAL . 87.1 m-70 -107.75 -36.32 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.3 p -38.25 124.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.15 110.32 2.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLY . 6.2 mt -37.18 138.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 111.139 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 128.0 26.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.73 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -121.7 177.49 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -166.74 141.66 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.0 171.5 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -109.2 -29.61 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.81 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.8 p -85.7 -5.24 59.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.71 29.74 14.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -67.17 163.71 19.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -114.63 136.4 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -126.94 142.76 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 ttt -87.71 -37.38 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -102.04 147.46 26.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.89 -50.23 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -50.51 -48.53 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -67.74 -34.92 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 85' ' ' VAL . 6.3 t80 -57.72 -66.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -57.95 -44.0 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -46.36 -44.35 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 2.8 t60 -80.52 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.851 HG21 ' CE1' ' A' ' 81' ' ' PHE . 43.5 t -42.8 -42.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.26 -42.52 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.1 m -80.84 -47.91 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.08 -18.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 90.6 m -89.06 -51.96 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' THR . 41.0 mttt -33.98 -57.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -55.21 -47.84 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 3.4 t80 -58.47 -44.08 89.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 36.8 mt-10 -55.57 -49.3 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.95 -26.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.93 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' GLU . 35.9 mtpt -52.15 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.22 75.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -50.41 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.74 64.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.49 ' O ' HG22 ' A' ' 102' ' ' THR . 1.2 t-20 -98.57 142.38 30.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.3 m -49.73 88.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 100' ' ' ASN . 7.2 t -128.49 130.75 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -46.32 112.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.41 144.31 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.1 t -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.01 140.45 10.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -175.73 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -166.93 138.59 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m -167.28 175.86 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.517 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -158.59 146.47 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -129.96 -55.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.07 173.95 19.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 t -165.42 156.75 14.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -140.78 117.54 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.87 150.55 9.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.1 166.28 30.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.5 160.02 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mt -144.09 176.69 9.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 2.4 m-85 -127.19 114.4 21.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 141.87 46.37 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.86 161.57 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -48.9 -44.45 40.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 20.2 p -65.04 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.52 -19.67 6.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -59.4 172.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -136.01 127.26 28.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 19.4 m-85 -113.36 144.01 43.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -63.37 -23.53 67.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.05 163.56 20.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.79 -41.9 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -60.62 -32.95 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.54 -34.29 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 5.5 tmm_? -74.32 -39.59 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.1 -54.09 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -49.45 -30.91 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -79.54 -26.57 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.442 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 27.3 mtp -68.0 -48.24 66.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -49.3 -45.28 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.8 mtm -46.58 -46.1 19.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 20.9 m-70 -51.1 -30.53 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.22 112.02 21.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.86 70.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.69 107.94 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -114.6 116.12 43.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.83 -17.12 37.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 70.7 m-85 -102.34 118.82 37.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.91 145.03 16.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 t -90.26 108.01 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.86 32.65 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG11 ' CG ' ' A' ' 60' ' ' HIS . 56.5 t -122.37 -49.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 p -110.79 -36.93 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.36 31.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 1.5 mtpm? -95.71 -177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 73.7 mttt -161.16 149.74 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' HIS . 6.9 m-85 -141.83 151.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -78.28 -43.24 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.586 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 6.5 mmt -96.5 155.52 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -70.01 -43.27 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 1.1 p80 -74.01 -7.23 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 6.8 m170 -86.04 -20.45 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 47' ' ' PHE . 22.2 tp -90.24 -37.05 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.64 -60.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.9 -24.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 59' ' ' ILE . 15.3 t60 -93.16 -43.88 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.49 -27.47 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -58.59 -10.89 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 56' ' ' HIS . 6.2 pt -85.49 -17.71 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' HG11 ' A' ' 42' ' ' VAL . 80.5 m-70 -110.08 -43.22 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.3 p -64.17 108.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.12 106.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.4 149.92 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -104.0 101.29 24.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.573 0.701 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -42.84 2.98 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 32.1 m-85 -151.55 153.06 33.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -153.38 135.25 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 171.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.73 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.99 -67.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.23 -10.97 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 27.31 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -66.28 165.27 14.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 12.6 mtp-105 -115.93 140.65 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -134.9 119.97 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -64.29 -40.61 96.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.89 158.55 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 37.2 ttp85 -84.9 -52.65 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -44.98 -37.78 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -78.07 -33.08 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CE1' HG21 ' A' ' 85' ' ' VAL . 30.2 t80 -59.03 -63.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -59.88 -40.62 89.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -53.02 -38.57 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 8.6 t60 -84.94 -66.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 ' CE1' ' A' ' 81' ' ' PHE . 21.6 t -34.68 -48.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -47.59 -46.23 28.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' HIS . 41.1 m -78.95 -37.14 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.8 t -61.15 -30.47 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.9 m -81.8 -48.37 11.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' THR . 8.1 mtpm? -36.03 -49.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -64.77 -53.69 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -50.22 -52.33 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.49 -48.43 77.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.78 -40.86 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.25 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -48.74 161.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.15 43.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -42.93 -45.88 5.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -132.12 82.65 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -120.87 163.35 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -112.72 151.5 30.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 93.7 m -64.24 110.08 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -112.36 82.04 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.42 158.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.0 t -151.68 153.0 33.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.39 121.62 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 177.86 5.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.5 m -97.63 140.12 32.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.4 p -79.67 -53.39 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.48 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -173.26 166.62 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -174.53 177.78 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 160.0 31.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -158.52 153.71 25.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -125.38 179.45 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.71 177.33 36.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -119.85 174.87 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 mppt? -96.54 155.98 16.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 2.2 mt -145.42 166.69 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.62 120.8 21.99 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.712 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.6 Cg_endo -69.73 121.29 7.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -93.83 159.69 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -54.98 -47.29 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 28.7 p -58.26 -27.95 64.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.55 -23.19 6.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -62.82 173.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 m -142.54 125.07 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -108.72 145.93 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 m -70.81 -27.57 63.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -109.61 153.03 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -72.52 -40.9 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.3 m -58.42 -42.77 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -63.72 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 3.8 tmm_? -74.46 -38.87 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.52 -51.9 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -55.58 -30.53 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 t-80 -85.23 -13.57 49.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.5 mtp -88.23 -41.8 12.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -69.91 -33.96 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 1.6 ppp? -63.88 -35.49 80.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 18.9 m-70 -56.46 -53.56 55.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -54.48 133.27 45.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.85 -149.69 5.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -132.35 153.35 50.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 1.7 mpt_? -137.94 150.51 67.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.67 0.747 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.0 Cg_endo -69.82 -21.6 32.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 48.2 m-85 -101.55 118.96 38.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.26 145.56 17.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -91.33 104.31 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.12 35.81 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 60' ' ' HIS . 52.9 t -126.18 -45.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.49 -36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.63 32.17 1.65 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 21.4 mttp -98.14 179.53 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 74.0 mttt -160.24 151.86 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 4.9 m-85 -146.67 147.34 30.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -76.0 -38.53 57.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 52' ' ' HIS . 46.4 mtt -94.15 150.34 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -73.29 -28.3 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.466 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.2 p-80 -81.77 -21.26 37.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.57 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 8.3 m170 -73.27 -33.59 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.68 -40.85 65.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' HIS . 11.6 t -54.89 -61.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -42.57 -24.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' ILE . 22.1 t60 -94.57 -43.23 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.97 -26.94 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -56.65 -19.59 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -78.69 -16.62 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 42' ' ' VAL . 84.0 m-70 -109.82 18.14 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.7 p -122.67 76.23 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.28 -73.81 1.96 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 mt -47.13 143.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -160.76 132.9 4.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.468 ' HB2' ' CD2' ' A' ' 66' ' ' TYR . 53.9 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 65' ' ' PRO . 17.5 m-85 -133.94 174.05 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -171.8 139.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.45 169.01 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -108.17 -27.57 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -82.32 -67.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 p -85.6 -7.68 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.68 25.8 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -66.26 157.06 32.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -115.19 132.05 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' PRO . 59.4 m-85 -123.11 149.15 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.437 ' CG ' ' CD1' ' A' ' 77' ' ' TRP . 22.4 ptm -91.47 -43.27 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.437 ' CD1' ' CG ' ' A' ' 76' ' ' MET . 82.6 m95 -81.9 162.28 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -90.64 -47.7 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.31 -48.07 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -64.02 -40.04 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.3 t80 -55.42 -64.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -57.92 -37.37 73.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -56.96 -46.83 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -70.13 -58.82 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 81' ' ' PHE . 43.3 t -44.74 -44.04 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -49.29 -43.35 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -50.01 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.0 t -44.49 -32.19 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.4 m -79.31 -46.29 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' THR . 5.0 mmmm -33.76 -50.97 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.9 t -68.64 -43.32 76.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 89' ' ' THR . 5.1 t80 -56.85 -53.53 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 89' ' ' THR . 20.4 mt-10 -60.48 -45.83 92.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -42.68 -55.57 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.27 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -40.08 159.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.797 ' HB1' ' HB2' ' A' ' 100' ' ' ASN . . . -92.85 70.58 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -72.99 -47.94 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -111.09 41.96 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.797 ' HB2' ' HB1' ' A' ' 97' ' ' ALA . 48.8 t30 -84.85 42.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 75.2 p -103.54 146.14 28.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.3 p -51.35 167.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.87 173.34 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.71 174.65 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.3 p -117.24 98.87 6.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 107' ' ' PRO . . . -82.63 111.39 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 106' ' ' GLY . 54.2 Cg_endo -69.7 175.76 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.378 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -49.44 110.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -63.71 169.47 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.494 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -168.43 172.8 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -174.71 169.52 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.13 176.32 47.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -163.71 175.13 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -168.61 175.13 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.36 -170.91 30.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -127.82 163.27 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -149.84 156.72 42.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -142.88 170.7 15.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.5 m-85 -110.27 113.55 56.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.712 0.768 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.74 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 t -86.4 159.77 19.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -56.75 -41.03 76.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -66.28 -30.82 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.99 -26.04 4.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.21 176.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -148.35 116.31 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.3 172.2 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -90.89 -26.13 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -120.21 155.65 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -67.96 -37.89 82.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -63.49 -43.64 96.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.7 -34.08 75.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 6.3 tmm_? -81.63 -33.6 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.01 -54.43 45.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.75 -32.7 31.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.401 ' HA ' ' SD ' ' A' ' 31' ' ' MET . 3.1 t-80 -82.0 -19.77 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 mtp -86.13 -31.36 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -71.27 -34.23 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 28' ' ' HIS . 3.5 ptm -67.27 -31.7 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.25 -44.48 97.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.41 -179.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -120.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 mp -132.09 159.31 39.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 155.06 38.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.74 -9.43 26.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.686 ' HB3' HD22 ' A' ' 53' ' ' LEU . 50.2 m-85 -106.77 37.59 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.9 120.32 16.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.6 106.99 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.95 25.54 3.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.3 t -115.15 -42.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.0 p -117.73 -37.93 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.23 24.61 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 43.6 mttt -89.98 179.55 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.642 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 29.2 mttp -153.29 161.39 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 5.9 m-85 -157.9 144.3 17.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -76.11 -38.91 56.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.496 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 21.9 mmt -103.21 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 51' ' ' HIS . 17.0 ptpt -77.38 -51.43 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 8.5 p-80 -55.32 -39.21 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -55.79 -38.89 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 38' ' ' TYR . 42.1 tp -74.11 -46.93 39.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.4 -55.79 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -48.41 -20.73 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.837 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -97.48 -46.49 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.554 ' O ' HG22 ' A' ' 61' ' ' THR . 0.1 OUTLIER -47.72 -34.65 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -48.35 -28.84 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.837 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.5 pt -66.19 -34.61 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' ILE . 66.7 m-70 -84.99 -66.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -48.61 124.05 7.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.13 148.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -87.5 150.39 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.705 ' HZ1' ' N ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -97.16 107.82 40.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 53.6 Cg_endo -69.72 -49.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.737 2.292 . . . . 0.0 112.346 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 21.2 m-85 -87.28 151.63 22.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -165.72 137.91 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.33 176.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.65 -40.32 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.1 mp -70.26 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -88.77 -8.24 54.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.47 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -68.01 165.52 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -124.33 133.34 53.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.54 127.91 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.705 ' N ' ' HZ1' ' A' ' 64' ' ' LYS . 17.2 ptm -74.56 -31.84 62.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 72.8 m95 -87.8 148.91 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -79.49 -71.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' ARG . 22.1 t0 -35.36 -50.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -63.35 -40.61 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 85' ' ' VAL . 10.0 t80 -58.38 -65.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -56.09 -47.24 78.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -49.87 -44.01 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.81 -59.75 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 81' ' ' PHE . 45.7 t -41.3 -44.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.7 m -51.78 -54.36 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -68.47 -48.85 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.72 -40.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' LYS . 10.8 m -75.29 -49.29 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' THR . 48.3 mttm -36.47 -44.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 1.9 m -72.27 -44.92 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.5 t80 -55.38 -53.63 53.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -47.98 -42.06 26.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 91' ' ' SER . . . -48.38 -49.14 35.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.69 -59.88 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -39.52 138.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.45 41.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -47.42 -44.65 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -53.98 -47.91 70.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -46.95 98.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' THR . 20.5 m -138.99 139.65 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' THR . 81.7 p -36.21 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.62 162.67 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.39 151.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -49.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.46 137.91 5.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.53 27.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.8 p -89.82 167.31 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.34 166.04 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.497 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -172.07 172.25 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -172.53 176.9 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 166.38 35.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -174.99 177.21 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -167.58 171.18 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.49 179.12 40.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.456 ' OD2' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -146.32 131.98 18.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' C ' ' HG ' ' A' ' 10' ' ' LEU . 3.2 tppt? -96.0 142.72 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' HG ' ' C ' ' A' ' 9' ' ' LYS . 5.4 mt -149.71 170.71 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 3.1 m-30 -113.04 98.51 45.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.649 0.738 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.71 138.6 38.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 t -97.43 160.01 14.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.42 -42.51 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' ' HE3' ' A' ' 17' ' ' LYS . 11.7 p -59.88 -34.99 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.91 -19.32 4.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HE3' ' SG ' ' A' ' 15' ' ' CYS . 21.2 mtmt -63.88 -175.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.9 p -151.79 126.86 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.1 m-85 -115.73 157.41 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.5 m -83.62 -19.42 35.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -122.56 133.57 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -32.22 72.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -62.46 -25.91 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -91.38 -34.23 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 1.2 tmm_? -75.83 -33.41 60.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.57 -51.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -54.07 -34.05 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -75.96 -26.13 56.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.1 mtp -70.51 -52.96 18.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.752 ' HA ' HD12 ' A' ' 33' ' ' LEU . 75.5 p -46.04 -42.28 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.7 mtm -48.99 -47.42 44.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -60.88 -48.52 81.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 30' ' ' SER . 24.5 mt -50.38 175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.17 84.96 1.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -151.89 177.23 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -93.71 144.74 28.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.76 -25.21 28.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 78.2 m-85 -96.73 117.77 31.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.33 131.47 5.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 t -76.63 104.3 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.05 35.84 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 60' ' ' HIS . 60.0 t -126.09 -43.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.25 -37.78 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.72 31.03 1.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -97.69 -179.96 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 69.9 mttt -155.93 160.71 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 7.4 m-85 -152.23 155.22 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -73.84 -45.33 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.428 ' CB ' ' NE2' ' A' ' 51' ' ' HIS . 6.6 mmt -109.29 173.29 6.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -81.06 -28.97 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.459 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 2.6 p-80 -74.23 -25.71 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -75.63 -30.6 59.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.579 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 19.7 tp -83.16 -34.71 25.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.84 -60.55 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.71 -22.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.73 ' O ' HG23 ' A' ' 59' ' ' ILE . 17.0 t60 -95.84 -39.5 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.09 -27.63 46.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -55.84 -26.18 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.2 pt -71.07 -17.86 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.425 ' CG ' HG11 ' A' ' 42' ' ' VAL . 81.8 m-70 -108.46 13.3 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.4 p -120.67 113.04 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.59 -137.88 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.19 136.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -116.62 88.29 24.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 64' ' ' LYS . 53.4 Cg_endo -69.81 -43.16 2.77 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -124.41 148.79 47.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.35 149.06 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.33 173.78 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -109.1 -34.9 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.7 mp -78.39 -63.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.4 p -89.21 -14.13 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.0 27.36 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -63.22 161.23 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -112.48 134.15 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -133.65 137.27 45.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 28.4 ptm -81.27 -43.37 19.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 40.2 m95 -77.33 169.36 18.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -99.19 -48.29 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.11 -49.21 74.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 m -61.37 -41.46 97.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.801 ' O ' HG23 ' A' ' 85' ' ' VAL . 12.2 t80 -56.06 -61.89 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.01 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -52.01 -52.84 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.3 t60 -63.99 -58.83 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 81' ' ' PHE . 53.9 t -45.43 -38.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.3 m -58.68 -54.69 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -73.37 -21.76 60.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.4 t -73.27 -13.24 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -89.02 -45.67 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.71 -43.07 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -68.17 -39.31 82.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.89 -48.78 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.05 -36.13 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.87 -30.69 69.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.25 -58.84 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -52.76 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -119.32 81.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 99' ' ' GLN . 14.7 pt-20 -41.08 -38.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 7.3 pt20 -113.73 85.85 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -164.81 140.31 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -48.11 137.07 10.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.3 p -91.09 145.87 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -155.15 142.28 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.09 176.04 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 p -152.38 139.43 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.72 133.44 11.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.41 5.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t -131.56 153.69 49.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 t -131.58 170.88 14.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.516 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -174.7 173.76 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -159.68 178.49 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.12 175.06 34.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 m -164.23 169.95 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -174.39 139.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -66.5 179.64 11.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 2.2 m-20 -162.48 138.96 7.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -130.28 155.9 45.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.75 171.44 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 22' ' ' LYS . 8.2 m-85 -116.38 120.46 34.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.713 0.768 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 25' ' ' ARG . 53.5 Cg_endo -69.78 123.12 9.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -95.97 154.47 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -48.83 -48.81 41.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 22.0 p -58.34 -32.16 68.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.37 -21.81 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -63.91 162.1 14.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 p -132.21 121.39 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -102.38 165.84 10.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -91.03 -25.76 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -111.43 139.98 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 4.2 tppp? -60.27 -39.04 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -59.14 -48.89 79.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -56.26 -42.26 77.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 12' ' ' PRO . 4.0 tmm_? -71.11 -39.99 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.62 -47.44 85.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.45 -41.04 96.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.8 -19.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mtp -71.76 -59.53 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.507 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 54.7 p -54.78 -40.36 69.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 mtp -45.01 -24.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 77.0 m-70 -85.62 -33.36 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.5 pp -112.02 23.26 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -100.42 -159.55 28.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.23 155.87 23.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.35 129.65 22.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.879 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.2 Cg_endo -69.73 -17.08 37.91 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.382 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 68.3 m-85 -109.22 138.83 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.22 136.09 6.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 21.6 t -81.66 105.84 13.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.37 38.67 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.92 -46.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 p -113.58 -35.14 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.32 30.52 2.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -96.06 -178.2 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 46.8 mttm -156.08 164.29 38.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 15.4 m-85 -157.03 151.98 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -77.45 -44.35 29.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.486 ' CB ' ' CE1' ' A' ' 51' ' ' HIS . 7.6 mmt -98.9 151.99 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.13 -33.17 75.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CE1' ' CB ' ' A' ' 49' ' ' MET . 6.4 p80 -77.25 -26.32 52.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -67.49 -25.8 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 47' ' ' PHE . 28.2 tp -84.58 -39.13 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 t -53.8 -59.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.41 -24.03 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 9.8 t60 -94.07 -44.63 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -50.41 -29.67 10.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HA ' HG22 ' A' ' 61' ' ' THR . 76.8 mttt -54.18 -28.74 42.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.4 pt -64.55 -27.94 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -93.86 -55.82 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 58' ' ' LYS . 10.8 t -66.94 145.02 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.4 144.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -97.37 125.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 34.1 pttt -103.97 106.14 51.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 66' ' ' TYR . 54.1 Cg_endo -69.76 -19.11 36.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 65' ' ' PRO . 62.0 m-85 -160.81 143.37 12.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.1 tm-20 -147.39 124.48 11.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 3.9 t -51.7 169.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -110.26 -32.36 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.36 -66.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.7 p -85.35 -13.43 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.12 33.38 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -75.06 160.52 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -111.43 141.2 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -133.83 153.91 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -47.58 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -92.0 140.22 29.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 21.4 ttt85 -66.97 -47.52 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -51.74 22.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.82 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.0 t80 -57.94 -61.78 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -58.29 -44.65 88.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -52.27 -41.77 63.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -78.53 -56.71 4.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 81' ' ' PHE . 37.7 t -46.28 -42.3 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -50.06 -55.78 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' LYS . 1.3 t -72.36 -53.63 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' SER . 30.7 t -37.78 -34.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LYS . 3.1 m -83.35 -40.56 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 3.1 mmmp? -37.83 -46.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -44.61 29.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' ALA . 13.0 t80 -51.02 -52.71 40.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -39.06 -42.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.48 95.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -68.01 -44.56 76.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -35.12 -44.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 96' ' ' LYS . . . 68.25 45.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 44.38 31.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 65.35 44.69 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -90.37 76.92 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.9 t -167.77 157.05 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.2 p -43.59 106.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -94.97 146.77 24.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 58.84 42.22 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.0 m -107.69 93.22 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.3 -173.72 45.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 166.93 25.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.2 p -164.23 -177.15 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m 58.08 44.55 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 p -173.69 168.96 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -167.77 178.53 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.64 141.78 5.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -171.38 146.56 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -174.99 159.09 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -74.36 -172.22 27.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.7 m-20 -162.76 137.6 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -130.68 154.9 47.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' THR . 1.9 mt -138.49 174.08 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 22' ' ' LYS . 29.8 m-85 -123.24 121.27 27.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.718 0.771 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.81 157.89 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -55.05 -41.93 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 24.9 p -63.27 -27.06 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.78 -18.39 8.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.06 177.59 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 p -144.36 120.32 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 49.9 m-85 -103.78 143.19 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.404 ' HA ' HD23 ' A' ' 10' ' ' LEU . 24.9 m -67.53 -23.15 65.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -118.54 148.94 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' NH2' ' A' ' 25' ' ' ARG . 29.6 tptt -65.79 -42.91 90.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -56.71 -53.05 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -53.13 -36.03 60.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -77.79 -35.92 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.45 -52.84 59.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -55.3 -30.57 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -78.18 -19.46 53.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 mmm -85.05 -37.0 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.1 m -70.75 -29.58 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -75.57 -31.6 60.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 14.4 m-70 -54.09 -43.77 70.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.44 70.77 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.75 -167.8 14.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.3 mt 44.95 53.96 7.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -44.7 113.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 54.1 Cg_endo -69.75 -19.94 35.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 40.5 m-85 -94.55 110.45 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.72 137.87 10.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.439 ' SG ' ' HE1' ' A' ' 57' ' ' MET . 17.1 t -81.03 104.62 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.08 34.87 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 ' CG ' ' A' ' 60' ' ' HIS . 51.6 t -124.99 -43.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.6 p -116.6 -37.14 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.93 31.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 56' ' ' HIS . 7.5 mtpp -96.55 178.81 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.655 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 8.4 mtmp? -158.57 158.57 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 8.3 m-85 -154.79 150.83 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -78.99 -41.63 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.427 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 21.4 mmt -94.11 148.61 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -66.0 -36.05 82.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.471 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.9 p-80 -74.1 -34.01 63.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 37.0 m170 -60.83 -27.13 67.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 38' ' ' TYR . 28.2 tp -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' HIS . 20.0 t -53.1 -61.68 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 58' ' ' LYS . . . -42.97 -22.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.809 ' O ' HG23 ' A' ' 59' ' ' ILE . 22.1 t60 -94.89 -45.68 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.13 -25.7 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' CD ' ' HA2' ' A' ' 55' ' ' GLY . 12.2 mtpt -58.58 -14.79 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 56' ' ' HIS . 5.0 pt -82.69 -17.88 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CG ' HG11 ' A' ' 42' ' ' VAL . 85.6 m-70 -108.47 -45.65 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 56.7 p -40.03 151.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -119.29 148.46 18.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 22.9 mm -36.66 133.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 100.06 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.513 0.673 . . . . 0.0 110.948 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.588 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 53.7 Cg_endo -69.73 -9.56 26.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 65' ' ' PRO . 16.2 m-85 -115.19 144.36 43.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 73' ' ' LYS . 4.1 tt0 -157.1 138.08 13.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.32 173.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.9 -59.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -92.21 -10.47 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.35 28.25 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -56.49 169.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -125.55 131.87 52.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.97 151.46 49.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.9 ttp -98.56 -30.73 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -91.92 150.56 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HD2' ' CE1' ' A' ' 66' ' ' TYR . 3.8 tpt180 -77.31 -52.78 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -50.84 -47.49 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -63.38 -47.71 80.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.919 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 t80 -48.62 -53.59 17.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.82 -39.74 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 ttt-85 -55.16 -40.49 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 84' ' ' HIS . 2.3 t60 -77.93 -56.18 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 81' ' ' PHE . 42.2 t -49.29 -50.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 83' ' ' ARG . 1.1 t -44.85 -29.46 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 m -98.45 -31.3 12.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.07 -11.12 46.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 m -86.52 -50.75 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -47.04 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -59.65 -39.56 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.06 -61.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.14 -42.82 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.75 -39.43 3.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -74.88 -50.85 15.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mttt -34.59 -44.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 46.97 40.07 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.93 -45.56 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.1 77.51 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -159.99 121.45 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.0 m -120.94 98.99 6.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.4 p -63.44 101.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.61 172.22 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.52 118.94 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.8 m -158.86 158.34 33.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -162.36 159.41 31.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 133.95 26.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -154.77 130.02 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.7 p -136.45 168.78 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.435 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -174.52 -178.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m 63.07 51.87 2.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.11 173.06 23.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -165.24 174.84 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -158.79 178.99 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.88 142.58 3.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.24 127.39 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.377 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.72 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -117.36 174.69 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 9' ' ' LYS . 12.0 mt -152.52 156.74 39.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -125.84 123.26 24.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.58 12.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.75 163.7 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.44 -38.92 81.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 p -69.37 -29.26 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.27 -25.38 4.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -60.27 173.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.2 p -138.6 133.96 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 25' ' ' ARG . 73.1 m-85 -118.29 142.53 47.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.5 m -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -117.26 155.21 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' ARG . 16.7 ttpt -67.44 -60.06 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -42.35 -43.54 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 4.1 tmm_? -79.43 -42.48 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.64 -53.98 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 10.1 ptm180 -55.68 -38.26 69.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 9.8 t-80 -67.89 -31.73 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.4 ' HA ' ' CD2' ' A' ' 32' ' ' HIS . 19.4 mtp -67.71 -48.76 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -51.68 -43.49 62.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.2 mtp -46.27 -51.69 14.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 29' ' ' MET . 12.2 m-70 -53.49 -40.11 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 mt -92.25 99.31 12.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' HD22 ' A' ' 35' ' ' LEU . . . 150.35 -59.03 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 34' ' ' GLY . 4.5 mm? -115.51 173.02 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 7.4 mpt_? -110.09 153.11 43.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.78 -19.51 35.94 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 47.2 m-85 -99.46 130.48 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.41 7.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' CE ' ' A' ' 57' ' ' MET . 29.8 t -85.29 103.84 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.0 38.11 2.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 60' ' ' HIS . 73.9 t -130.01 -47.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.3 p -110.25 -37.33 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.87 32.19 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.59 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 25.7 mttt -100.73 177.09 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.618 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 55.9 mttt -156.63 157.22 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -145.93 152.84 40.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -79.8 -43.35 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.483 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 13.8 mmt -92.09 170.75 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -47.13 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 49' ' ' MET . 0.2 OUTLIER -71.66 -10.51 59.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 49' ' ' MET . 26.9 m170 -81.01 -24.47 37.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 47' ' ' PHE . 34.4 tp -86.16 -40.32 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' HIS . 21.8 t -52.1 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.49 -22.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 59' ' ' ILE . 26.3 t60 -97.96 -41.39 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.433 ' CE ' ' SG ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -55.66 -27.94 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -10.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 56' ' ' HIS . 3.8 pt -86.18 -19.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 59' ' ' ILE . 81.9 m-70 -110.11 -41.89 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.1 p -70.32 87.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.85 -113.25 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 64' ' ' LYS . 89.5 mt -90.17 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.37 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 63' ' ' ILE . 3.8 mppt? -109.05 90.23 7.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.631 0.729 . . . . 0.0 110.942 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -45.3 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -139.45 138.45 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -143.39 147.02 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.11 173.04 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.94 -33.39 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.52 -62.78 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.9 p -91.32 -10.25 42.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.92 28.79 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -64.11 156.25 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 26.4 mtm105 -109.69 131.74 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.42 111.36 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 77' ' ' TRP . 2.8 ppp? -62.49 -38.45 89.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.566 ' CD1' ' SD ' ' A' ' 76' ' ' MET . 11.4 m95 -75.48 174.4 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -103.59 -60.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -51.02 -49.24 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 m -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.06 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -60.41 -36.44 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -55.45 -40.43 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 5.2 t60 -77.67 -65.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 63.3 t -37.51 -44.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.3 m -48.0 -47.83 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' THR . 19.2 m -80.67 -51.43 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.78 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' GLU . 25.9 m -89.82 -49.06 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' THR . 6.9 mtmp? -34.67 -46.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -73.34 -48.47 34.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -50.68 -50.25 55.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.524 ' HG3' HG22 ' A' ' 89' ' ' THR . 19.7 mt-10 -46.19 -42.23 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.62 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.35 -54.5 44.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -38.52 -41.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 100' ' ' ASN . . . 63.42 40.33 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 97' ' ' ALA . 18.3 mt-10 30.82 47.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 62.24 49.95 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.705 ' HB3' ' HB1' ' A' ' 97' ' ' ALA . 63.9 t30 -105.45 -38.57 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.546 HG23 ' HG3' ' A' ' 103' ' ' GLU . 8.0 t -80.14 142.16 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -68.93 108.79 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' HG3' HG23 ' A' ' 101' ' ' THR . 22.8 mt-10 -125.49 168.91 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.05 157.65 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.3 t -155.17 132.96 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.41 160.34 13.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.63 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.7 t -120.39 -64.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.9 p -157.38 174.14 15.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.531 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -163.49 173.89 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -160.0 178.23 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.39 178.81 48.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -144.57 177.19 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -125.66 168.69 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.75 -154.71 8.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -151.64 105.56 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' HD23 ' A' ' 10' ' ' LEU . 16.5 mttt -99.56 154.61 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 9' ' ' LYS . 5.5 mt -146.38 167.2 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' LYS . 4.0 m-85 -133.64 119.14 14.89 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.669 0.747 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.72 33.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -106.94 162.7 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -52.38 -43.03 64.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -65.78 -30.41 71.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.54 6.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -61.57 172.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.7 p -134.63 126.48 29.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -109.18 153.36 23.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -71.58 -22.81 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -126.17 162.7 24.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.33 -40.44 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -59.55 -31.9 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -75.08 -36.43 61.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -75.4 -30.84 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.4 -51.29 45.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -30.62 60.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.1 t-80 -81.37 -14.1 57.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.0 mtp -84.08 -44.72 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 m -67.82 -40.61 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' A' ' 32' ' ' HIS . 3.2 ppp? -56.74 -31.94 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' N ' ' SD ' ' A' ' 31' ' ' MET . 19.4 m-70 -57.84 -52.05 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.15 -44.83 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.784 ' C ' HD12 ' A' ' 35' ' ' LEU . . . 85.85 103.94 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 34' ' ' GLY . 7.5 mp -143.81 117.8 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HD2' ' C ' ' A' ' 35' ' ' LEU . 2.8 mpt_? -147.21 122.92 5.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.7 Cg_endo -69.69 -17.68 37.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.406 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 80.4 m-85 -100.57 116.08 31.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.93 128.73 6.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.45 105.05 9.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.29 37.58 2.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 60' ' ' HIS . 47.7 t -128.88 -44.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 16.8 p -115.24 -36.97 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.75 30.46 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 56' ' ' HIS . 28.4 mttp -97.0 179.92 4.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.631 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 24.0 mttp -158.05 156.14 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 1.3 m-85 -146.57 150.4 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -78.59 -41.93 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.582 ' HG3' ' CE1' ' A' ' 52' ' ' HIS . 6.0 mmt -95.66 165.17 12.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.58 -47.48 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.42 -3.02 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.582 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 18.8 m170 -87.47 -23.56 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 47' ' ' PHE . 40.8 tp -88.01 -41.91 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.58 -57.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -45.81 -20.8 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' ILE . 16.9 t60 -97.46 -44.18 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -52.61 -27.05 15.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 55' ' ' GLY . 13.5 ptmm? -57.0 -23.3 45.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 56' ' ' HIS . 4.4 pt -72.67 -30.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 43' ' ' CYS . 80.9 m-70 -87.95 -61.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 57' ' ' MET . 1.9 t -79.89 147.62 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.71 170.89 24.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.13 160.99 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 111.088 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -130.67 74.59 79.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.93 30.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 78' ' ' ARG . 9.4 m-85 -129.69 141.22 50.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.4 tm-20 -148.3 125.87 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 4.3 t -53.81 172.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.97 -40.15 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -70.92 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.2 p -84.63 -10.99 56.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.03 26.19 16.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -66.43 157.37 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -114.0 134.5 54.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -127.27 157.35 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.558 ' HG3' ' CD1' ' A' ' 77' ' ' TRP . 26.4 ptm -98.6 -38.36 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 76' ' ' MET . 85.5 m95 -92.93 143.87 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 9.2 tpt180 -70.07 -41.99 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 83' ' ' ARG . 2.9 p-10 -58.19 -39.32 78.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.83 -45.75 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 85' ' ' VAL . 40.1 t80 -53.46 -59.82 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -64.5 -45.28 87.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 86' ' ' THR . 61.6 ttt-85 -53.93 -38.97 65.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 85' ' ' VAL . 3.9 t60 -81.8 -58.96 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 81' ' ' PHE . 46.9 t -46.82 -50.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 83' ' ' ARG . 2.5 t -43.49 -26.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -101.8 -40.77 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.9 -21.76 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 93' ' ' GLU . 28.4 m -86.63 -51.08 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' THR . 19.8 mtpp -34.53 -56.5 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 m -62.04 -43.22 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 6.1 t80 -56.68 -55.32 35.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.562 ' HG3' HG22 ' A' ' 89' ' ' THR . 22.4 mt-10 -53.44 -45.57 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.18 -50.8 8.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.11 -44.8 29.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 96' ' ' LYS . 4.0 tmmm? -45.87 150.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 59.35 42.32 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -78.52 -44.89 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -82.99 -25.92 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.86 -42.52 68.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.2 p -80.09 142.51 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.0 p -42.87 124.93 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.95 136.32 37.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 172.88 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -67.99 90.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.47 113.03 3.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.08 63.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 81.4 p -57.44 172.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 m -158.3 173.86 16.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.482 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_